N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide

C16H30N2O — CID 107181007

IUPACN-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-13-7-6-10-15(13)16(19)18-12-11-17-14-8-4-2-3-5-9-14/h13-15,17H,2-12H2,1H3,(H,18,19)
InChIKeyIQFTUPISMGRKQU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide

N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107181007) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107181007
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-13-7-6-10-15(13)16(19)18-12-11-17-14-8-4-2-3-5-9-14/h13-15,17H,2-12H2,1H3,(H,18,19)
InChIKeyIQFTUPISMGRKQU-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.85
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

N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
N-(2-amino-2-oxoethyl)-2-methylcyclohexane-1-carboxamide
CID 10420268
1-[2-(cyclobutylamino)ethyl]-3-methylurea
CID 123788370
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide (CID 107181007) is N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is IQFTUPISMGRKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-7-6-10-15(13)16(19)18-12-11-17-14-8-4-2-3-5-9-14/h13-15,17H,2-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide?
N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).