4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine

C21H48N2 — CID 159440730

IUPAC4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC(C)(C)C.CC(C)NCCCC(C)(C)C
InChIInChI=1S/C11H25N.C10H23N/c1-10(2,3)7-8-12-9-11(4,5)6;1-9(2)11-8-6-7-10(3,4)5/h12H,7-9H2,1-6H3;9,11H,6-8H2,1-5H3
InChIKeyLSDFLAHWZHRBGC-UHFFFAOYSA-N
MW328.63 g/mol
LogP5.87
Rot. Bonds7

About 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine

4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine (PubChem CID 159440730) has the molecular formula C21H48N2 and a molecular weight of 328.63 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine
PubChem CID159440730
Molecular FormulaC21H48N2
Molecular Weight328.63 g/mol
Exact Mass328.38
IUPAC Name4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC(C)(C)C.CC(C)NCCCC(C)(C)C
InChIInChI=1S/C11H25N.C10H23N/c1-10(2,3)7-8-12-9-11(4,5)6;1-9(2)11-8-6-7-10(3,4)5/h12H,7-9H2,1-6H3;9,11H,6-8H2,1-5H3
InChIKeyLSDFLAHWZHRBGC-UHFFFAOYSA-N
XLogP5.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine with MolForge

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Related Compounds

1,6-Hexanediamine, N1,N6-bis(1,2,2-trimethylpropyl)-
CID 87165727
1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
N,N'-Bis(2,4,4-trimethyl-2-pentyl)-ethylenediamine
CID 223882
Isopropyl-(1,1,3,3-tetramethyl-butyl)-amine
CID 21043847
Sec-butyl-(1,1,3,3-tetramethyl-butyl)-amine
CID 43731181
(3-Amino-4,4-dimethylpentyl)dimethylamine
CID 54593855
3,5,5-Trimethyl-N-(3,5,5-trimethylhexyl)hexan-1-amine
CID 22117747
1-Hexanamine,N-(2,2-dimethylhexyl)-2,2-dimethyl-
CID 588307
Pentyl(2,4,4-trimethylpentan-2-yl)amine
CID 43731072
(2S)-3,3-dimethyl-1-N,1-N-di(pentan-3-yl)butane-1,2-diamine
CID 134968490
N-(2,4,4-trimethylpentan-2-yl)dodecan-1-amine
CID 63491729
1-N-[(1R)-1-fluoroethyl]-2,2-dimethylpentane-1,4-diamine
CID 163532861

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine (CID 159440730) is 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCC(C)(C)C.CC(C)NCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine?
The InChIKey is LSDFLAHWZHRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C10H23N/c1-10(2,3)7-8-12-9-11(4,5)6;1-9(2)11-8-6-7-10(3,4)5/h12H,7-9H2,1-6H3;9,11H,6-8H2,1-5H3.
What are the key properties of 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine?
4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine has a molecular weight of 328.63 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 159440730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).