(5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine

C12H25N3 — CID 25102677

IUPAC(5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCCN1C(N(C)C)=NC[C@@H]1C
InChIInChI=1S/C12H25N3/c1-10(2)7-6-8-15-11(3)9-13-12(15)14(4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyCRBULKFIQBYCHM-NSHDSACASA-N
MW211.35 g/mol
LogP2.04
Rot. Bonds4

About (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine

(5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102677) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102677
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCCN1C(N(C)C)=NC[C@@H]1C
InChIInChI=1S/C12H25N3/c1-10(2)7-6-8-15-11(3)9-13-12(15)14(4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyCRBULKFIQBYCHM-NSHDSACASA-N
XLogP2.04
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine (CID 25102677) is (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine is CC(C)CCCN1C(N(C)C)=NC[C@@H]1C.
What is the InChIKey of (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is CRBULKFIQBYCHM-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)7-6-8-15-11(3)9-13-12(15)14(4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine?
(5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N,5-trimethyl-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).