N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine

C17H25N3 — CID 66164061

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine
SMILESc1ncn(C2CC2)c1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3/c1-2-15(1)20-11-18-9-16(20)10-19-17-6-12-3-13(7-17)5-14(4-12)8-17/h9,11-15,19H,1-8,10H2
InChIKeyYGADIZKFTAWARI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.28
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine (PubChem CID 66164061) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine
PubChem CID66164061
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine
SMILESc1ncn(C2CC2)c1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3/c1-2-15(1)20-11-18-9-16(20)10-19-17-6-12-3-13(7-17)5-14(4-12)8-17/h9,11-15,19H,1-8,10H2
InChIKeyYGADIZKFTAWARI-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine (CID 66164061) is N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine is c1ncn(C2CC2)c1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine?
The InChIKey is YGADIZKFTAWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-15(1)20-11-18-9-16(20)10-19-17-6-12-3-13(7-17)5-14(4-12)8-17/h9,11-15,19H,1-8,10H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.28, 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]adamantan-1-amine is sourced from PubChem (CID 66164061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).