N-(2-aminoethyl)-N-butylcyclooctanecarboxamide

C15H30N2O — CID 65020868

IUPACN-(2-aminoethyl)-N-butylcyclooctanecarboxamide
SMILESCCCCN(CCN)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H30N2O/c1-2-3-12-17(13-11-16)15(18)14-9-7-5-4-6-8-10-14/h14H,2-13,16H2,1H3
InChIKeyPNDPUGMXTDKCKW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds6

About N-(2-aminoethyl)-N-butylcyclooctanecarboxamide

N-(2-aminoethyl)-N-butylcyclooctanecarboxamide (PubChem CID 65020868) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butylcyclooctanecarboxamide
PubChem CID65020868
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-aminoethyl)-N-butylcyclooctanecarboxamide
SMILESCCCCN(CCN)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H30N2O/c1-2-3-12-17(13-11-16)15(18)14-9-7-5-4-6-8-10-14/h14H,2-13,16H2,1H3
InChIKeyPNDPUGMXTDKCKW-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-butyl-N-propylcyclopentanecarboxamide
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N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 63287770
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butylcyclooctanecarboxamide?
The IUPAC name of N-(2-aminoethyl)-N-butylcyclooctanecarboxamide (CID 65020868) is N-(2-aminoethyl)-N-butylcyclooctanecarboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butylcyclooctanecarboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-butylcyclooctanecarboxamide is CCCCN(CCN)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-butylcyclooctanecarboxamide?
The InChIKey is PNDPUGMXTDKCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-3-12-17(13-11-16)15(18)14-9-7-5-4-6-8-10-14/h14H,2-13,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butylcyclooctanecarboxamide?
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butylcyclooctanecarboxamide is sourced from PubChem (CID 65020868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).