2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride

C13H27ClN2O — CID 119432481

IUPAC2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)CC1CCCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-14-9-6-10-15-13(16)11-12-7-4-2-3-5-8-12;/h12,14H,2-11H2,1H3,(H,15,16);1H
InChIKeyWRUMKWYFBBSSAK-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.49
Rot. Bonds6

About 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride

2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 119432481) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
PubChem CID119432481
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)CC1CCCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-14-9-6-10-15-13(16)11-12-7-4-2-3-5-8-12;/h12,14H,2-11H2,1H3,(H,15,16);1H
InChIKeyWRUMKWYFBBSSAK-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-octylacetamide
CID 3547359
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
CID 119313827
2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide
CID 58599059
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride (CID 119432481) is 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride is CNCCCNC(=O)CC1CCCCCC1.Cl.
What is the InChIKey of 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is WRUMKWYFBBSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-14-9-6-10-15-13(16)11-12-7-4-2-3-5-8-12;/h12,14H,2-11H2,1H3,(H,15,16);1H.
What are the key properties of 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride?
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119432481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).