N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide

C14H27N3O — CID 122080782

IUPACN-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CCNC1
InChIInChI=1S/C14H27N3O/c18-14(12-7-8-15-11-12)17-10-9-16-13-5-3-1-2-4-6-13/h12-13,15-16H,1-11H2,(H,17,18)
InChIKeyDDCGIEVFVIIPIJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.02
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide

N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 122080782) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID122080782
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CCNC1
InChIInChI=1S/C14H27N3O/c18-14(12-7-8-15-11-12)17-10-9-16-13-5-3-1-2-4-6-13/h12-13,15-16H,1-11H2,(H,17,18)
InChIKeyDDCGIEVFVIIPIJ-UHFFFAOYSA-N
XLogP1.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
N-[2-(cycloheptylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119620505
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide (CID 122080782) is N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide is O=C(NCCNC1CCCCCC1)C1CCNC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is DDCGIEVFVIIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14(12-7-8-15-11-12)17-10-9-16-13-5-3-1-2-4-6-13/h12-13,15-16H,1-11H2,(H,17,18).
What are the key properties of N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122080782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).