N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine

C18H25N3 — CID 66162308

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(C)(C)C(NCc1cncn1C1CC1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-18(2,3)17(14-7-5-4-6-8-14)20-12-16-11-19-13-21(16)15-9-10-15/h4-8,11,13,15,17,20H,9-10,12H2,1-3H3
InChIKeyGOMFNWFRDBWBNN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.09
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 66162308) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID66162308
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(C)(C)C(NCc1cncn1C1CC1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-18(2,3)17(14-7-5-4-6-8-14)20-12-16-11-19-13-21(16)15-9-10-15/h4-8,11,13,15,17,20H,9-10,12H2,1-3H3
InChIKeyGOMFNWFRDBWBNN-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
CID 66164331
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66162904

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine (CID 66162308) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is CC(C)(C)C(NCc1cncn1C1CC1)c1ccccc1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is GOMFNWFRDBWBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)17(14-7-5-4-6-8-14)20-12-16-11-19-13-21(16)15-9-10-15/h4-8,11,13,15,17,20H,9-10,12H2,1-3H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 66162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).