N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride

C17H31ClN2 — CID 11979303

IUPACN-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride
SMILESC1CCN(CCCNC2C3CC4CC(C3)CC2C4)C1.Cl
InChIInChI=1S/C17H30N2.ClH/c1-2-6-19(5-1)7-3-4-18-17-15-9-13-8-14(11-15)12-16(17)10-13;/h13-18H,1-12H2;1H
InChIKeyZTARYDWQNMYEGX-UHFFFAOYSA-N
MW298.90 g/mol
LogP3.31
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride

N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride (PubChem CID 11979303) has the molecular formula C17H31ClN2 and a molecular weight of 298.90 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride
PubChem CID11979303
Molecular FormulaC17H31ClN2
Molecular Weight298.90 g/mol
Exact Mass298.22
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride
SMILESC1CCN(CCCNC2C3CC4CC(C3)CC2C4)C1.Cl
InChIInChI=1S/C17H30N2.ClH/c1-2-6-19(5-1)7-3-4-18-17-15-9-13-8-14(11-15)12-16(17)10-13;/h13-18H,1-12H2;1H
InChIKeyZTARYDWQNMYEGX-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.90
LogP ≤ 53.31
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 N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride (CID 11979303) is N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride is C1CCN(CCCNC2C3CC4CC(C3)CC2C4)C1.Cl.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride?
The InChIKey is ZTARYDWQNMYEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2.ClH/c1-2-6-19(5-1)7-3-4-18-17-15-9-13-8-14(11-15)12-16(17)10-13;/h13-18H,1-12H2;1H.
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride?
N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride has a molecular weight of 298.90 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)adamantan-2-amine;hydrochloride is sourced from PubChem (CID 11979303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).