2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine

C12H27N — CID 103922999

IUPAC2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
SMILESCCCC(C)CNC(C)(CC)CC
InChIInChI=1S/C12H27N/c1-6-9-11(4)10-13-12(5,7-2)8-3/h11,13H,6-10H2,1-5H3
InChIKeyDRCQHXPPJGQEGD-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds7

About 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine

2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine (PubChem CID 103922999) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
PubChem CID103922999
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
SMILESCCCC(C)CNC(C)(CC)CC
InChIInChI=1S/C12H27N/c1-6-9-11(4)10-13-12(5,7-2)8-3/h11,13H,6-10H2,1-5H3
InChIKeyDRCQHXPPJGQEGD-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
N-(1-methoxy-2-methylpropan-2-yl)-2-methylpentan-1-amine
CID 115906085
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 91419201
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
2-methyl-N-(trifluoromethyl)pentan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 160516447
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine (CID 103922999) is 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine is CCCC(C)CNC(C)(CC)CC.
What is the InChIKey of 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine?
The InChIKey is DRCQHXPPJGQEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-9-11(4)10-13-12(5,7-2)8-3/h11,13H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine?
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine is sourced from PubChem (CID 103922999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).