(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine

C10H23N — CID 122415254

IUPAC(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine
SMILESCCN(C)[C@H](C)CC(C)(C)C
InChIInChI=1S/C10H23N/c1-7-11(6)9(2)8-10(3,4)5/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyPQHUEROVQLZHFO-SECBINFHSA-N
MW157.30 g/mol
LogP2.76
Rot. Bonds3

About (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine

(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine (PubChem CID 122415254) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine
PubChem CID122415254
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine
SMILESCCN(C)[C@H](C)CC(C)(C)C
InChIInChI=1S/C10H23N/c1-7-11(6)9(2)8-10(3,4)5/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyPQHUEROVQLZHFO-SECBINFHSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine?
The IUPAC name of (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine (CID 122415254) is (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine is CCN(C)[C@H](C)CC(C)(C)C.
What is the InChIKey of (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine?
The InChIKey is PQHUEROVQLZHFO-SECBINFHSA-N. The full InChI is InChI=1S/C10H23N/c1-7-11(6)9(2)8-10(3,4)5/h9H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine?
(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 122415254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).