(2S)-6-methylheptan-2-amine

C8H19N — CID 2734518

IUPAC(2S)-6-methylheptan-2-amine
SMILESCC(C)CCC[C@H](C)N
InChIInChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyQNIVIMYXGGFTAK-QMMMGPOBSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds4

About (2S)-6-methylheptan-2-amine

(2S)-6-methylheptan-2-amine (PubChem CID 2734518) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-6-methylheptan-2-amine.

Molecular Properties

Compound Name(2S)-6-methylheptan-2-amine
PubChem CID2734518
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-6-methylheptan-2-amine
SMILESCC(C)CCC[C@H](C)N
InChIInChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyQNIVIMYXGGFTAK-QMMMGPOBSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-methylheptan-2-amine?
The IUPAC name of (2S)-6-methylheptan-2-amine (CID 2734518) is (2S)-6-methylheptan-2-amine.
What is the SMILES notation for (2S)-6-methylheptan-2-amine?
The canonical SMILES for (2S)-6-methylheptan-2-amine is CC(C)CCC[C@H](C)N.
What is the InChIKey of (2S)-6-methylheptan-2-amine?
The InChIKey is QNIVIMYXGGFTAK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-6-methylheptan-2-amine?
(2S)-6-methylheptan-2-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methylheptan-2-amine is sourced from PubChem (CID 2734518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).