(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine

C12H27N — CID 102003612

IUPAC(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
SMILESCCC[C@H](C)CN(C(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-7-8-12(6)9-13(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyOESLVCUDXTWKOF-LBPRGKRZSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine

(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine (PubChem CID 102003612) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
PubChem CID102003612
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
SMILESCCC[C@H](C)CN(C(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-7-8-12(6)9-13(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyOESLVCUDXTWKOF-LBPRGKRZSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N-ethyl-2-methylpentan-1-amine
CID 167094301
N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine
CID 174297704
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
lithium 2-methylpentan-1-olate
CID 87387163
4-methylheptane;propane
CID 142171269
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
acetylene;4-methylheptane
CID 143164229
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
2-methylpentane
CID 7892
2-N,2-dimethyl-2-N-(2-methylpentyl)propane-1,2-diamine
CID 62264836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine?
The IUPAC name of (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine (CID 102003612) is (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine.
What is the SMILES notation for (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine?
The canonical SMILES for (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine is CCC[C@H](C)CN(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine?
The InChIKey is OESLVCUDXTWKOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N/c1-7-8-12(6)9-13(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine?
(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine is sourced from PubChem (CID 102003612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).