N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine

C18H27N3 — CID 43493378

IUPACN-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
SMILESCCNC(Cc1ncc[nH]1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H27N3/c1-4-14(3)18(15-9-7-6-8-10-15)16(19-5-2)13-17-20-11-12-21-17/h6-12,14,16,18-19H,4-5,13H2,1-3H3,(H,20,21)
InChIKeyQKBFBQGAFMSYPW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.76
Rot. Bonds8

About N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine

N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine (PubChem CID 43493378) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
PubChem CID43493378
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
SMILESCCNC(Cc1ncc[nH]1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H27N3/c1-4-14(3)18(15-9-7-6-8-10-15)16(19-5-2)13-17-20-11-12-21-17/h6-12,14,16,18-19H,4-5,13H2,1-3H3,(H,20,21)
InChIKeyQKBFBQGAFMSYPW-UHFFFAOYSA-N
XLogP3.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine?
The IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine (CID 43493378) is N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine is CCNC(Cc1ncc[nH]1)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine?
The InChIKey is QKBFBQGAFMSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-14(3)18(15-9-7-6-8-10-15)16(19-5-2)13-17-20-11-12-21-17/h6-12,14,16,18-19H,4-5,13H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine?
N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine is sourced from PubChem (CID 43493378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).