N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine

C30H69N3 — CID 159829459

IUPACN,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CN.CC(C)(C)CN(CC(C)(C)C)CC(C)(C)C.CC(C)(C)CNCC(C)(C)C
InChIInChI=1S/C15H33N.C10H23N.C5H13N/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9;1-9(2,3)7-11-8-10(4,5)6;1-5(2,3)4-6/h10-12H2,1-9H3;11H,7-8H2,1-6H3;4,6H2,1-3H3
InChIKeyNNGSNXUEPRNGAV-UHFFFAOYSA-N
MW471.90 g/mol
LogP8.09
Rot. Bonds5

About N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine

N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine (PubChem CID 159829459) has the molecular formula C30H69N3 and a molecular weight of 471.90 g/mol. Its IUPAC name is N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine
PubChem CID159829459
Molecular FormulaC30H69N3
Molecular Weight471.90 g/mol
Exact Mass471.55
IUPAC NameN,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CN.CC(C)(C)CN(CC(C)(C)C)CC(C)(C)C.CC(C)(C)CNCC(C)(C)C
InChIInChI=1S/C15H33N.C10H23N.C5H13N/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9;1-9(2,3)7-11-8-10(4,5)6;1-5(2,3)4-6/h10-12H2,1-9H3;11H,7-8H2,1-6H3;4,6H2,1-3H3
InChIKeyNNGSNXUEPRNGAV-UHFFFAOYSA-N
XLogP8.09
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2,2-dimethylpropyl)amine
CID 3760175
2-methyl-N,N'-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]propane-1,3-diamine
CID 11033430
CID 139188721
CID 139188721
N-[2-[bis(2-methylpropyl)amino]ethyl]-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 17793887
N-[3-[bis(2-methylpropyl)amino]propyl]-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 18364435
N-[4-(diethylamino)butyl]-N',N'-diethylbutane-1,4-diamine
CID 18364442
N',N'-ditert-butyl-N-[3-(ditert-butylamino)propyl]propane-1,3-diamine
CID 18364447
N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine
CID 18364451
N,N-dibutylbutan-1-amine;N-ethylethanamine
CID 19827528
N-butylbutan-1-amine;2,2-dimethylpropan-1-amine
CID 19894771
[3-(Dimethylamino)-2,2-dimethylpropyl](methyl)amine
CID 20349741
Tris(2-methylpropyl)-[2-(2-methylpropylamino)ethyl]azanium
CID 20781761

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine (CID 159829459) is N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine is CC(C)(C)CN.CC(C)(C)CN(CC(C)(C)C)CC(C)(C)C.CC(C)(C)CNCC(C)(C)C.
What is the InChIKey of N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine?
The InChIKey is NNGSNXUEPRNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.C10H23N.C5H13N/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9;1-9(2,3)7-11-8-10(4,5)6;1-5(2,3)4-6/h10-12H2,1-9H3;11H,7-8H2,1-6H3;4,6H2,1-3H3.
What are the key properties of N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine?
N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine has a molecular weight of 471.90 g/mol, XLogP of 8.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine;2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 159829459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).