N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine

C10H13N3 — CID 66163065

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cncn1C1CC1
InChIInChI=1S/C10H13N3/c1-2-5-11-6-10-7-12-8-13(10)9-3-4-9/h1,7-9,11H,3-6H2
InChIKeyXCKSTMBLSJTHBU-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.94
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine (PubChem CID 66163065) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
PubChem CID66163065
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cncn1C1CC1
InChIInChI=1S/C10H13N3/c1-2-5-11-6-10-7-12-8-13(10)9-3-4-9/h1,7-9,11H,3-6H2
InChIKeyXCKSTMBLSJTHBU-UHFFFAOYSA-N
XLogP0.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295493
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412322
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
CID 114331505
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 66141193
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710
3-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylpropanamide
CID 113409676

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine (CID 66163065) is N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine is C#CCNCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine?
The InChIKey is XCKSTMBLSJTHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-5-11-6-10-7-12-8-13(10)9-3-4-9/h1,7-9,11H,3-6H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine has a molecular weight of 175.24 g/mol, XLogP of 0.94, 4 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]prop-2-yn-1-amine is sourced from PubChem (CID 66163065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).