N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine

C17H25N3 — CID 66164299

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine
SMILESc1ncn(C2CC2)c1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25N3/c1-2-15(1)20-10-18-8-16(20)9-19-17-13-4-11-3-12(6-13)7-14(17)5-11/h8,10-15,17,19H,1-7,9H2
InChIKeyXOFNASFPWDLHGW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.13
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine (PubChem CID 66164299) 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-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine
PubChem CID66164299
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine
SMILESc1ncn(C2CC2)c1CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25N3/c1-2-15(1)20-10-18-8-16(20)9-19-17-13-4-11-3-12(6-13)7-14(17)5-11/h8,10-15,17,19H,1-7,9H2
InChIKeyXOFNASFPWDLHGW-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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-2-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine (CID 66164299) is N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine is c1ncn(C2CC2)c1CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine?
The InChIKey is XOFNASFPWDLHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-15(1)20-10-18-8-16(20)9-19-17-13-4-11-3-12(6-13)7-14(17)5-11/h8,10-15,17,19H,1-7,9H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]adamantan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.13, 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-2-amine is sourced from PubChem (CID 66164299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).