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

C18H30N2O — CID 102873863

IUPACN-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide
SMILESNCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1
InChIInChI=1S/C18H30N2O/c19-5-2-6-20(16-3-1-4-16)17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12,19H2
InChIKeyNEBVXWMYNUJQTG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.93
Rot. Bonds5

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

N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide (PubChem CID 102873863) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide
PubChem CID102873863
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide
SMILESNCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1
InChIInChI=1S/C18H30N2O/c19-5-2-6-20(16-3-1-4-16)17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12,19H2
InChIKeyNEBVXWMYNUJQTG-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 3224906
N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 102873935
N-(azetidin-3-yl)-N-propyladamantane-1-carboxamide
CID 66214651
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cyclopentyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476059
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
CID 102873906
N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102873929
N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
CID 60653107

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide (CID 102873863) is N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide is NCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide?
The InChIKey is NEBVXWMYNUJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-5-2-6-20(16-3-1-4-16)17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12,19H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide?
N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide is sourced from PubChem (CID 102873863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).