(2S,3R)-N-ethyl-3-methylhexan-2-amine

C9H21N — CID 51891368

IUPAC(2S,3R)-N-ethyl-3-methylhexan-2-amine
SMILESCCC[C@@H](C)[C@H](C)NCC
InChIInChI=1S/C9H21N/c1-5-7-8(3)9(4)10-6-2/h8-10H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyLYDYDXSIASJTLD-BDAKNGLRSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds5

About (2S,3R)-N-ethyl-3-methylhexan-2-amine

(2S,3R)-N-ethyl-3-methylhexan-2-amine (PubChem CID 51891368) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (2S,3R)-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-ethyl-3-methylhexan-2-amine
PubChem CID51891368
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(2S,3R)-N-ethyl-3-methylhexan-2-amine
SMILESCCC[C@@H](C)[C@H](C)NCC
InChIInChI=1S/C9H21N/c1-5-7-8(3)9(4)10-6-2/h8-10H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyLYDYDXSIASJTLD-BDAKNGLRSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
N-butyl-3-methylhexan-2-amine
CID 123937982
N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
N-ethyl-2,4-dimethylhept-1-en-3-amine
CID 105005538
2-ethoxy-N-ethyl-4-methylheptan-3-amine
CID 107896506
N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine
CID 103181104
1,1-diethoxy-N-ethyl-3-methylhexan-2-amine
CID 107896716
4,6-dimethyl-N-(3-methylhexan-2-yl)heptan-2-amine
CID 123887044

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of (2S,3R)-N-ethyl-3-methylhexan-2-amine (CID 51891368) is (2S,3R)-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for (2S,3R)-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for (2S,3R)-N-ethyl-3-methylhexan-2-amine is CCC[C@@H](C)[C@H](C)NCC.
What is the InChIKey of (2S,3R)-N-ethyl-3-methylhexan-2-amine?
The InChIKey is LYDYDXSIASJTLD-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H21N/c1-5-7-8(3)9(4)10-6-2/h8-10H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-N-ethyl-3-methylhexan-2-amine?
(2S,3R)-N-ethyl-3-methylhexan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 51891368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).