4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine

C15H33N — CID 63498321

IUPAC4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)CC(C)C
InChIInChI=1S/C15H33N/c1-7-14(6)9-15(8-12(2)3)11-16-10-13(4)5/h12-16H,7-11H2,1-6H3
InChIKeyMFSJVPOGPVQBQE-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.33
Rot. Bonds9

About 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine

4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine (PubChem CID 63498321) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
PubChem CID63498321
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
SMILESCCC(C)CC(CNCC(C)C)CC(C)C
InChIInChI=1S/C15H33N/c1-7-14(6)9-15(8-12(2)3)11-16-10-13(4)5/h12-16H,7-11H2,1-6H3
InChIKeyMFSJVPOGPVQBQE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367
(4S)-2,4-dimethylhexane
CID 22810193
CID 175939227
CID 175939227
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
(5S)-3-ethyl-5-methylheptane
CID 59094044
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
5-methyl-3-(2-methylpropyl)heptan-1-imine
CID 170290913
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The IUPAC name of 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine (CID 63498321) is 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine is CCC(C)CC(CNCC(C)C)CC(C)C.
What is the InChIKey of 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The InChIKey is MFSJVPOGPVQBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-14(6)9-15(8-12(2)3)11-16-10-13(4)5/h12-16H,7-11H2,1-6H3.
What are the key properties of 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 63498321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).