2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine

C12H27N — CID 64665441

IUPAC2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCC(C)CC(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)8-13-9-11(3)7-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyNDYQDAGPYFWNNP-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.30
Rot. Bonds5

About 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine

2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 64665441) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID64665441
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCC(C)CC(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)8-13-9-11(3)7-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyNDYQDAGPYFWNNP-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 175939227
CID 175939227
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 112555935
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138954
2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide
CID 129056224
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 55071072
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine (CID 64665441) is 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCC(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is NDYQDAGPYFWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)8-13-9-11(3)7-12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine?
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 64665441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).