N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine

C19H41N — CID 63445485

IUPACN-(2,4,4-trimethylpentan-2-yl)undecan-6-amine
SMILESCCCCCC(CCCCC)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H41N/c1-8-10-12-14-17(15-13-11-9-2)20-19(6,7)16-18(3,4)5/h17,20H,8-16H2,1-7H3
InChIKeyJJTQRUOOWGZKCH-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.32
Rot. Bonds11

About N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine

N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine (PubChem CID 63445485) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)undecan-6-amine
PubChem CID63445485
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)undecan-6-amine
SMILESCCCCCC(CCCCC)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H41N/c1-8-10-12-14-17(15-13-11-9-2)20-19(6,7)16-18(3,4)5/h17,20H,8-16H2,1-7H3
InChIKeyJJTQRUOOWGZKCH-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-2-yl-2,4,4-trimethylpentan-2-amine
CID 43788200
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
N-ethyl-2,2-dimethylhexadecan-4-amine
CID 63891733
1-(2,4,4-trimethylpentan-2-ylamino)butan-1-ol
CID 154119880
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine
CID 163425790
N-ethyltetradecan-7-amine
CID 87847195
N-ethyldecan-5-amine
CID 79405026
2,2-dimethyltridecan-4-ylhydrazine
CID 105220297
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
2-(ethylamino)nonan-1-ol
CID 61050713

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine (CID 63445485) is N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine is CCCCCC(CCCCC)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine?
The InChIKey is JJTQRUOOWGZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-8-10-12-14-17(15-13-11-9-2)20-19(6,7)16-18(3,4)5/h17,20H,8-16H2,1-7H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine?
N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine has a molecular weight of 283.54 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine is sourced from PubChem (CID 63445485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).