(2S)-6-methyl-N-propan-2-ylheptan-2-amine

C11H25N — CID 38988589

IUPAC(2S)-6-methyl-N-propan-2-ylheptan-2-amine
SMILESCC(C)CCC[C@H](C)NC(C)C
InChIInChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyNKGYBXHAQAKSSG-NSHDSACASA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds6

About (2S)-6-methyl-N-propan-2-ylheptan-2-amine

(2S)-6-methyl-N-propan-2-ylheptan-2-amine (PubChem CID 38988589) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2S)-6-methyl-N-propan-2-ylheptan-2-amine.

Molecular Properties

Compound Name(2S)-6-methyl-N-propan-2-ylheptan-2-amine
PubChem CID38988589
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2S)-6-methyl-N-propan-2-ylheptan-2-amine
SMILESCC(C)CCC[C@H](C)NC(C)C
InChIInChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyNKGYBXHAQAKSSG-NSHDSACASA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-N-propan-2-ylheptan-2-amine?
The IUPAC name of (2S)-6-methyl-N-propan-2-ylheptan-2-amine (CID 38988589) is (2S)-6-methyl-N-propan-2-ylheptan-2-amine.
What is the SMILES notation for (2S)-6-methyl-N-propan-2-ylheptan-2-amine?
The canonical SMILES for (2S)-6-methyl-N-propan-2-ylheptan-2-amine is CC(C)CCC[C@H](C)NC(C)C.
What is the InChIKey of (2S)-6-methyl-N-propan-2-ylheptan-2-amine?
The InChIKey is NKGYBXHAQAKSSG-NSHDSACASA-N. The full InChI is InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-6-methyl-N-propan-2-ylheptan-2-amine?
(2S)-6-methyl-N-propan-2-ylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-N-propan-2-ylheptan-2-amine is sourced from PubChem (CID 38988589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).