(2S)-4-imino-N-methyl-5-phenylpentan-2-amine

C12H18N2 — CID 174586037

IUPAC(2S)-4-imino-N-methyl-5-phenylpentan-2-amine
SMILES[H]/N=C(/Cc1ccccc1)C[C@H](C)NC
InChIInChI=1S/C12H18N2/c1-10(14-2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/b13-12+/t10-/m0/s1
InChIKeyOOGQDEGRMUOZJT-ZFEMDRMUSA-N
MW190.29 g/mol
LogP2.25
Rot. Bonds5

About (2S)-4-imino-N-methyl-5-phenylpentan-2-amine

(2S)-4-imino-N-methyl-5-phenylpentan-2-amine (PubChem CID 174586037) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-4-imino-N-methyl-5-phenylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-imino-N-methyl-5-phenylpentan-2-amine
PubChem CID174586037
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S)-4-imino-N-methyl-5-phenylpentan-2-amine
SMILES[H]/N=C(/Cc1ccccc1)C[C@H](C)NC
InChIInChI=1S/C12H18N2/c1-10(14-2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/b13-12+/t10-/m0/s1
InChIKeyOOGQDEGRMUOZJT-ZFEMDRMUSA-N
XLogP2.25
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-imino-N-methyl-5-phenylpentan-2-amine?
The IUPAC name of (2S)-4-imino-N-methyl-5-phenylpentan-2-amine (CID 174586037) is (2S)-4-imino-N-methyl-5-phenylpentan-2-amine.
What is the SMILES notation for (2S)-4-imino-N-methyl-5-phenylpentan-2-amine?
The canonical SMILES for (2S)-4-imino-N-methyl-5-phenylpentan-2-amine is [H]/N=C(/Cc1ccccc1)C[C@H](C)NC.
What is the InChIKey of (2S)-4-imino-N-methyl-5-phenylpentan-2-amine?
The InChIKey is OOGQDEGRMUOZJT-ZFEMDRMUSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(14-2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/b13-12+/t10-/m0/s1.
What are the key properties of (2S)-4-imino-N-methyl-5-phenylpentan-2-amine?
(2S)-4-imino-N-methyl-5-phenylpentan-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-imino-N-methyl-5-phenylpentan-2-amine is sourced from PubChem (CID 174586037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).