N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide

C15H30N2O — CID 114456956

IUPACN-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
SMILESCCCN(CCCN)C(=O)CC1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-2-11-17(12-7-10-16)15(18)13-14-8-5-3-4-6-9-14/h14H,2-13,16H2,1H3
InChIKeyNWVQYSFAAQMVMX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds7

About N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide

N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide (PubChem CID 114456956) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
PubChem CID114456956
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
SMILESCCCN(CCCN)C(=O)CC1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-2-11-17(12-7-10-16)15(18)13-14-8-5-3-4-6-9-14/h14H,2-13,16H2,1H3
InChIKeyNWVQYSFAAQMVMX-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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CID 200810
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide (CID 114456956) is N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide is CCCN(CCCN)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide?
The InChIKey is NWVQYSFAAQMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-11-17(12-7-10-16)15(18)13-14-8-5-3-4-6-9-14/h14H,2-13,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide?
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide has a molecular weight of 254.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide is sourced from PubChem (CID 114456956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).