N-(3-aminopropyl)adamantane-1-carboxamide

C14H24N2O — CID 3117359

IUPACN-(3-aminopropyl)adamantane-1-carboxamide
SMILESNCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24N2O/c15-2-1-3-16-13(17)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9,15H2,(H,16,17)
InChIKeyWOPJTLDQPWBBJD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds4

About N-(3-aminopropyl)adamantane-1-carboxamide

N-(3-aminopropyl)adamantane-1-carboxamide (PubChem CID 3117359) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3-aminopropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)adamantane-1-carboxamide
PubChem CID3117359
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(3-aminopropyl)adamantane-1-carboxamide
SMILESNCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24N2O/c15-2-1-3-16-13(17)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9,15H2,(H,16,17)
InChIKeyWOPJTLDQPWBBJD-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
N-(5-bromopentyl)adamantane-1-carboxamide
CID 107321772
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(4-azidobutyl)adamantane-1-carboxamide
CID 106386481
N-(3-aminopropyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 119408280
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
CID 76952741
N'-(1-adamantyl)-N-(3-aminopropyl)propanediamide
CID 170692231
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide
CID 7302787

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)adamantane-1-carboxamide (CID 3117359) is N-(3-aminopropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)adamantane-1-carboxamide is NCCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-aminopropyl)adamantane-1-carboxamide?
The InChIKey is WOPJTLDQPWBBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-2-1-3-16-13(17)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,1-9,15H2,(H,16,17).
What are the key properties of N-(3-aminopropyl)adamantane-1-carboxamide?
N-(3-aminopropyl)adamantane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)adamantane-1-carboxamide is sourced from PubChem (CID 3117359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).