N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine

C13H23N3 — CID 138623326

IUPACN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine
SMILESCCC(CC)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C13H23N3/c1-3-12(4-2)15-9-13(5-6-13)10-16-8-7-14-11-16/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyKAPQUKUEKSSJBK-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.44
Rot. Bonds7

About N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine (PubChem CID 138623326) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine
PubChem CID138623326
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine
SMILESCCC(CC)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C13H23N3/c1-3-12(4-2)15-9-13(5-6-13)10-16-8-7-14-11-16/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyKAPQUKUEKSSJBK-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
2-[1-(imidazol-1-ylmethyl)cyclopropyl]ethanethioamide
CID 65498314
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 91828484
1-(imidazol-1-ylmethyl)-4-methylcyclohexan-1-ol
CID 59088177
3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 122572315
1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide
CID 72899173
N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131920217
1-(2-methylbutyl)imidazole
CID 59161437
(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 125444082
1-(imidazol-1-ylmethyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 125447141
copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine?
The IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine (CID 138623326) is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine.
What is the SMILES notation for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine?
The canonical SMILES for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine is CCC(CC)NCC1(Cn2ccnc2)CC1.
What is the InChIKey of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine?
The InChIKey is KAPQUKUEKSSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12(4-2)15-9-13(5-6-13)10-16-8-7-14-11-16/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine?
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]pentan-3-amine is sourced from PubChem (CID 138623326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).