N-(3-aminopropyl)-N-propylcycloheptanecarboxamide

C14H28N2O — CID 55091581

IUPACN-(3-aminopropyl)-N-propylcycloheptanecarboxamide
SMILESCCCN(CCCN)C(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-2-11-16(12-7-10-15)14(17)13-8-5-3-4-6-9-13/h13H,2-12,15H2,1H3
InChIKeyDAZWRUWPSRBURU-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds6

About N-(3-aminopropyl)-N-propylcycloheptanecarboxamide

N-(3-aminopropyl)-N-propylcycloheptanecarboxamide (PubChem CID 55091581) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propylcycloheptanecarboxamide
PubChem CID55091581
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-aminopropyl)-N-propylcycloheptanecarboxamide
SMILESCCCN(CCCN)C(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-2-11-16(12-7-10-15)14(17)13-8-5-3-4-6-9-13/h13H,2-12,15H2,1H3
InChIKeyDAZWRUWPSRBURU-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 63287770
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propylcycloheptanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-propylcycloheptanecarboxamide (CID 55091581) is N-(3-aminopropyl)-N-propylcycloheptanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propylcycloheptanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-propylcycloheptanecarboxamide is CCCN(CCCN)C(=O)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-propylcycloheptanecarboxamide?
The InChIKey is DAZWRUWPSRBURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-11-16(12-7-10-15)14(17)13-8-5-3-4-6-9-13/h13H,2-12,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-propylcycloheptanecarboxamide?
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propylcycloheptanecarboxamide is sourced from PubChem (CID 55091581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).