N-(3-aminopropyl)-N-cycloheptylheptanamide

C17H34N2O — CID 114751887

IUPACN-(3-aminopropyl)-N-cycloheptylheptanamide
SMILESCCCCCCC(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-2-3-4-9-13-17(20)19(15-10-14-18)16-11-7-5-6-8-12-16/h16H,2-15,18H2,1H3
InChIKeyKVUALAGICAKATK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.86
Rot. Bonds9

About N-(3-aminopropyl)-N-cycloheptylheptanamide

N-(3-aminopropyl)-N-cycloheptylheptanamide (PubChem CID 114751887) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptylheptanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptylheptanamide
PubChem CID114751887
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-(3-aminopropyl)-N-cycloheptylheptanamide
SMILESCCCCCCC(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-2-3-4-9-13-17(20)19(15-10-14-18)16-11-7-5-6-8-12-16/h16H,2-15,18H2,1H3
InChIKeyKVUALAGICAKATK-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
CID 62688230
7-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]heptanamide
CID 60954276
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide
CID 62588970

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptylheptanamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptylheptanamide (CID 114751887) is N-(3-aminopropyl)-N-cycloheptylheptanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptylheptanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptylheptanamide is CCCCCCC(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptylheptanamide?
The InChIKey is KVUALAGICAKATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-3-4-9-13-17(20)19(15-10-14-18)16-11-7-5-6-8-12-16/h16H,2-15,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptylheptanamide?
N-(3-aminopropyl)-N-cycloheptylheptanamide has a molecular weight of 282.47 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptylheptanamide is sourced from PubChem (CID 114751887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).