(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine

C15H33N — CID 163911487

IUPAC(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine
SMILESCCCC(C)N(C)C(C)CC(C)[C@@H](C)CC
InChIInChI=1S/C15H33N/c1-8-10-14(5)16(7)15(6)11-13(4)12(3)9-2/h12-15H,8-11H2,1-7H3/t12-,13?,14?,15?/m0/s1
InChIKeyQSMFTNPNMNHILR-NAOUJUTFSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds8

About (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine

(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine (PubChem CID 163911487) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine.

Molecular Properties

Compound Name(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine
PubChem CID163911487
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine
SMILESCCCC(C)N(C)C(C)CC(C)[C@@H](C)CC
InChIInChI=1S/C15H33N/c1-8-10-14(5)16(7)15(6)11-13(4)12(3)9-2/h12-15H,8-11H2,1-7H3/t12-,13?,14?,15?/m0/s1
InChIKeyQSMFTNPNMNHILR-NAOUJUTFSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tri(2-ethylhexyl)amine
CID 102705
2-Ethyl-N,N-dimethylhexylamine
CID 119633
Hexylamine, N-2-propynyl-N,1,3-trimethyl-
CID 26723
N-Methyl-N-(4-methylheptan-2-yl)cyclopropanamine
CID 27526
2-Propyl-n-pentyl-dimethylamin
CID 273855
1,2,4,6-Tetramethylpiperidine
CID 435108
N-(Cyclohexylmethyl)-N-(propan-2-yl)propan-2-amine
CID 12865551
1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-N-methyl-
CID 593524
N-Butyl-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 21242632
1,2,3,4,5,6-Hexamethylpiperidine
CID 18723717
4-Methyl-n-heptyl-dimethylamin
CID 21965913
(1R)-1-cyclopentyl-N,N-dimethylethanamine
CID 23229091

Frequently Asked Questions

What is the IUPAC name of (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine?
The IUPAC name of (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine (CID 163911487) is (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine.
What is the SMILES notation for (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine?
The canonical SMILES for (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine is CCCC(C)N(C)C(C)CC(C)[C@@H](C)CC.
What is the InChIKey of (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine?
The InChIKey is QSMFTNPNMNHILR-NAOUJUTFSA-N. The full InChI is InChI=1S/C15H33N/c1-8-10-14(5)16(7)15(6)11-13(4)12(3)9-2/h12-15H,8-11H2,1-7H3/t12-,13?,14?,15?/m0/s1.
What are the key properties of (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine?
(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine is sourced from PubChem (CID 163911487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).