N-[1-(4-methylphenyl)propyl]adamantan-2-amine

C20H29N — CID 43223442

IUPACN-[1-(4-methylphenyl)propyl]adamantan-2-amine
SMILESCCC(NC1C2CC3CC(C2)CC1C3)c1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-3-19(16-6-4-13(2)5-7-16)21-20-17-9-14-8-15(11-17)12-18(20)10-14/h4-7,14-15,17-21H,3,8-12H2,1-2H3
InChIKeyVHXAWFNDAOVBFG-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.86
Rot. Bonds4

About N-[1-(4-methylphenyl)propyl]adamantan-2-amine

N-[1-(4-methylphenyl)propyl]adamantan-2-amine (PubChem CID 43223442) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]adamantan-2-amine
PubChem CID43223442
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[1-(4-methylphenyl)propyl]adamantan-2-amine
SMILESCCC(NC1C2CC3CC(C2)CC1C3)c1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-3-19(16-6-4-13(2)5-7-16)21-20-17-9-14-8-15(11-17)12-18(20)10-14/h4-7,14-15,17-21H,3,8-12H2,1-2H3
InChIKeyVHXAWFNDAOVBFG-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]adamantan-2-amine?
The IUPAC name of N-[1-(4-methylphenyl)propyl]adamantan-2-amine (CID 43223442) is N-[1-(4-methylphenyl)propyl]adamantan-2-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]adamantan-2-amine?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]adamantan-2-amine is CCC(NC1C2CC3CC(C2)CC1C3)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]adamantan-2-amine?
The InChIKey is VHXAWFNDAOVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-3-19(16-6-4-13(2)5-7-16)21-20-17-9-14-8-15(11-17)12-18(20)10-14/h4-7,14-15,17-21H,3,8-12H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]adamantan-2-amine?
N-[1-(4-methylphenyl)propyl]adamantan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]adamantan-2-amine is sourced from PubChem (CID 43223442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).