N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride

C17H31ClN2O — CID 16682464

IUPACN-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride
SMILESC(CNC1C2CC3CC(C2)CC1C3)CN1CCOCC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1(3-19-4-6-20-7-5-19)2-18-17-15-9-13-8-14(11-15)12-16(17)10-13;/h13-18H,1-12H2;1H
InChIKeyFFGVJHIRGSZAAS-UHFFFAOYSA-N
MW314.90 g/mol
LogP2.54
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride

N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride (PubChem CID 16682464) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride
PubChem CID16682464
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC NameN-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride
SMILESC(CNC1C2CC3CC(C2)CC1C3)CN1CCOCC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1(3-19-4-6-20-7-5-19)2-18-17-15-9-13-8-14(11-15)12-16(17)10-13;/h13-18H,1-12H2;1H
InChIKeyFFGVJHIRGSZAAS-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride (CID 16682464) is N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride is C(CNC1C2CC3CC(C2)CC1C3)CN1CCOCC1.Cl.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride?
The InChIKey is FFGVJHIRGSZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1(3-19-4-6-20-7-5-19)2-18-17-15-9-13-8-14(11-15)12-16(17)10-13;/h13-18H,1-12H2;1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride?
N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)adamantan-2-amine;hydrochloride is sourced from PubChem (CID 16682464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).