N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide

C17H28N2O — CID 43596349

IUPACN-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
SMILESO=C(NCCCNC1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(19-5-1-4-18-15-2-3-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15,18H,1-11H2,(H,19,20)
InChIKeyZPYXBKMWECNGDP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.46
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide

N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide (PubChem CID 43596349) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
PubChem CID43596349
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
SMILESO=C(NCCCNC1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(19-5-1-4-18-15-2-3-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15,18H,1-11H2,(H,19,20)
InChIKeyZPYXBKMWECNGDP-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.46
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-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 11659300
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
N-[(3R)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 44157844
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
CID 23645899
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 11551248
N-(2-adamantyl)cyclohexanecarboxamide
CID 891290
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
N-Adamantan-2-yl-2-(1-cyclopropylcarbamoylmethyl-cyclopentyl)-acetamide
CID 24947607
3,3-Dimethyl-pentanedioic acid adamantan-2-ylamide cyclopropylamide
CID 24947610
N-Adamantan-2-yl-2-(1-cyclopropylcarbamoylmethyl-cyclohexyl)-acetamide
CID 24947984

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide (CID 43596349) is N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide is O=C(NCCCNC1CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide?
The InChIKey is ZPYXBKMWECNGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(19-5-1-4-18-15-2-3-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15,18H,1-11H2,(H,19,20).
What are the key properties of N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide?
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 43596349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).