3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine

C28H64N2 — CID 54182914

IUPAC3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)CC(C)C.CCC(C)(C)CC.CCCN(CCC)CCC
InChIInChI=1S/C12H27N.C9H21N.C7H16/c1-10(2)7-13(8-11(3)4)9-12(5)6;1-4-7-10(8-5-2)9-6-3;1-5-7(3,4)6-2/h10-12H,7-9H2,1-6H3;4-9H2,1-3H3;5-6H2,1-4H3
InChIKeyPDCKMMGIXJHXCR-UHFFFAOYSA-N
MW428.83 g/mol
LogP8.61
Rot. Bonds14

About 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine

3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine (PubChem CID 54182914) has the molecular formula C28H64N2 and a molecular weight of 428.83 g/mol. Its IUPAC name is 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
PubChem CID54182914
Molecular FormulaC28H64N2
Molecular Weight428.83 g/mol
Exact Mass428.51
IUPAC Name3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)CC(C)C.CCC(C)(C)CC.CCCN(CCC)CCC
InChIInChI=1S/C12H27N.C9H21N.C7H16/c1-10(2)7-13(8-11(3)4)9-12(5)6;1-4-7-10(8-5-2)9-6-3;1-5-7(3,4)6-2/h10-12H,7-9H2,1-6H3;4-9H2,1-3H3;5-6H2,1-4H3
InChIKeyPDCKMMGIXJHXCR-UHFFFAOYSA-N
XLogP8.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.83
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine with MolForge

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Related Compounds

[2-methylpropyl(propyl)amino]methanol
CID 54162178
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
3,3-dimethylpentane;2-methylhexane
CID 158289309
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
2,3,3-trimethyl-N,N-dipropylbutan-1-amine
CID 122677496
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
7-methyl-N,N-dipropyloctan-1-amine
CID 140640733
15-methyl-N,N-dipropylhexadecan-1-amine
CID 139724040
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine
CID 164906965

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
The IUPAC name of 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine (CID 54182914) is 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine is CC(C)CN(CC(C)C)CC(C)C.CCC(C)(C)CC.CCCN(CCC)CCC.
What is the InChIKey of 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
The InChIKey is PDCKMMGIXJHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C9H21N.C7H16/c1-10(2)7-13(8-11(3)4)9-12(5)6;1-4-7-10(8-5-2)9-6-3;1-5-7(3,4)6-2/h10-12H,7-9H2,1-6H3;4-9H2,1-3H3;5-6H2,1-4H3.
What are the key properties of 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine?
3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine has a molecular weight of 428.83 g/mol, XLogP of 8.61, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 54182914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).