(3S)-N,3-dimethyl-N-propylpentan-1-amine

C10H23N — CID 144585217

IUPAC(3S)-N,3-dimethyl-N-propylpentan-1-amine
SMILESCCCN(C)CC[C@@H](C)CC
InChIInChI=1S/C10H23N/c1-5-8-11(4)9-7-10(3)6-2/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyICZOYRLVEWGRDX-JTQLQIEISA-N
MW157.30 g/mol
LogP2.76
Rot. Bonds6

About (3S)-N,3-dimethyl-N-propylpentan-1-amine

(3S)-N,3-dimethyl-N-propylpentan-1-amine (PubChem CID 144585217) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (3S)-N,3-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name(3S)-N,3-dimethyl-N-propylpentan-1-amine
PubChem CID144585217
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(3S)-N,3-dimethyl-N-propylpentan-1-amine
SMILESCCCN(C)CC[C@@H](C)CC
InChIInChI=1S/C10H23N/c1-5-8-11(4)9-7-10(3)6-2/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyICZOYRLVEWGRDX-JTQLQIEISA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
CID 114874682
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethyl-N-propylpentan-1-amine?
The IUPAC name of (3S)-N,3-dimethyl-N-propylpentan-1-amine (CID 144585217) is (3S)-N,3-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for (3S)-N,3-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for (3S)-N,3-dimethyl-N-propylpentan-1-amine is CCCN(C)CC[C@@H](C)CC.
What is the InChIKey of (3S)-N,3-dimethyl-N-propylpentan-1-amine?
The InChIKey is ICZOYRLVEWGRDX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23N/c1-5-8-11(4)9-7-10(3)6-2/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-N,3-dimethyl-N-propylpentan-1-amine?
(3S)-N,3-dimethyl-N-propylpentan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 144585217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).