(3S)-N,2,3-trimethylpentan-3-amine

C8H19N — CID 88905606

IUPAC(3S)-N,2,3-trimethylpentan-3-amine
SMILESCC[C@](C)(NC)C(C)C
InChIInChI=1S/C8H19N/c1-6-8(4,9-5)7(2)3/h7,9H,6H2,1-5H3/t8-/m0/s1
InChIKeyRVPYRPAEQTXIHO-QMMMGPOBSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds3

About (3S)-N,2,3-trimethylpentan-3-amine

(3S)-N,2,3-trimethylpentan-3-amine (PubChem CID 88905606) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (3S)-N,2,3-trimethylpentan-3-amine.

Molecular Properties

Compound Name(3S)-N,2,3-trimethylpentan-3-amine
PubChem CID88905606
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(3S)-N,2,3-trimethylpentan-3-amine
SMILESCC[C@](C)(NC)C(C)C
InChIInChI=1S/C8H19N/c1-6-8(4,9-5)7(2)3/h7,9H,6H2,1-5H3/t8-/m0/s1
InChIKeyRVPYRPAEQTXIHO-QMMMGPOBSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,2,3-trimethylpentan-3-amine?
The IUPAC name of (3S)-N,2,3-trimethylpentan-3-amine (CID 88905606) is (3S)-N,2,3-trimethylpentan-3-amine.
What is the SMILES notation for (3S)-N,2,3-trimethylpentan-3-amine?
The canonical SMILES for (3S)-N,2,3-trimethylpentan-3-amine is CC[C@](C)(NC)C(C)C.
What is the InChIKey of (3S)-N,2,3-trimethylpentan-3-amine?
The InChIKey is RVPYRPAEQTXIHO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-6-8(4,9-5)7(2)3/h7,9H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-N,2,3-trimethylpentan-3-amine?
(3S)-N,2,3-trimethylpentan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,2,3-trimethylpentan-3-amine is sourced from PubChem (CID 88905606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).