3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine

C19H34N2 — CID 79999567

IUPAC3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCCCN1CCCC1)(C3)C2
InChIInChI=1S/C19H34N2/c1-17-10-16-11-18(2,13-17)15-19(12-16,14-17)20-6-5-9-21-7-3-4-8-21/h16,20H,3-15H2,1-2H3
InChIKeyBEWSOGFPKBJWIG-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.81
Rot. Bonds5

About 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine

3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine (PubChem CID 79999567) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine
PubChem CID79999567
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCCCN1CCCC1)(C3)C2
InChIInChI=1S/C19H34N2/c1-17-10-16-11-18(2,13-17)15-19(12-16,14-17)20-6-5-9-21-7-3-4-8-21/h16,20H,3-15H2,1-2H3
InChIKeyBEWSOGFPKBJWIG-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine (CID 79999567) is 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine is CC12CC3CC(C)(C1)CC(NCCCN1CCCC1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine?
The InChIKey is BEWSOGFPKBJWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-17-10-16-11-18(2,13-17)15-19(12-16,14-17)20-6-5-9-21-7-3-4-8-21/h16,20H,3-15H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine?
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine is sourced from PubChem (CID 79999567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).