(2S,3R)-3-methyl-N-propylhexan-2-amine

C10H23N — CID 170123604

IUPAC(2S,3R)-3-methyl-N-propylhexan-2-amine
SMILESCCCN[C@@H](C)[C@H](C)CCC
InChIInChI=1S/C10H23N/c1-5-7-9(3)10(4)11-8-6-2/h9-11H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyZZNBHIZEWICDOV-ZJUUUORDSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds6

About (2S,3R)-3-methyl-N-propylhexan-2-amine

(2S,3R)-3-methyl-N-propylhexan-2-amine (PubChem CID 170123604) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (2S,3R)-3-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-methyl-N-propylhexan-2-amine
PubChem CID170123604
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(2S,3R)-3-methyl-N-propylhexan-2-amine
SMILESCCCN[C@@H](C)[C@H](C)CCC
InChIInChI=1S/C10H23N/c1-5-7-9(3)10(4)11-8-6-2/h9-11H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyZZNBHIZEWICDOV-ZJUUUORDSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3-methylhexan-2-amine
CID 123937982
3,7-dimethyl-N-propyloctan-2-amine
CID 83158474
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
4-methyl-N-propyldecan-5-amine
CID 115837654
1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
N-butyl-3-methylpentan-2-amine
CID 43200990
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
6-methyl-N-propylnon-2-yn-5-amine
CID 115819999
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
3-ethyl-N-propyldodecan-2-amine
CID 63400125

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-N-propylhexan-2-amine?
The IUPAC name of (2S,3R)-3-methyl-N-propylhexan-2-amine (CID 170123604) is (2S,3R)-3-methyl-N-propylhexan-2-amine.
What is the SMILES notation for (2S,3R)-3-methyl-N-propylhexan-2-amine?
The canonical SMILES for (2S,3R)-3-methyl-N-propylhexan-2-amine is CCCN[C@@H](C)[C@H](C)CCC.
What is the InChIKey of (2S,3R)-3-methyl-N-propylhexan-2-amine?
The InChIKey is ZZNBHIZEWICDOV-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H23N/c1-5-7-9(3)10(4)11-8-6-2/h9-11H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-N-propylhexan-2-amine?
(2S,3R)-3-methyl-N-propylhexan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 170123604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).