N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine

C11H19N3 — CID 28993992

IUPACN-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
SMILESC[C@@H](NCCCn1ccnc1)C1CC1
InChIInChI=1S/C11H19N3/c1-10(11-3-4-11)13-5-2-7-14-8-6-12-9-14/h6,8-11,13H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyCVLHUSIINZQPTK-SNVBAGLBSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine

N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 28993992) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID28993992
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
SMILESC[C@@H](NCCCn1ccnc1)C1CC1
InChIInChI=1S/C11H19N3/c1-10(11-3-4-11)13-5-2-7-14-8-6-12-9-14/h6,8-11,13H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyCVLHUSIINZQPTK-SNVBAGLBSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43773819
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
2-N-(3-imidazol-1-ylpropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54960832
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine (CID 28993992) is N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine is C[C@@H](NCCCn1ccnc1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is CVLHUSIINZQPTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(11-3-4-11)13-5-2-7-14-8-6-12-9-14/h6,8-11,13H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine?
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 28993992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).