1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide

C13H23N3O2 — CID 115733626

IUPAC1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCNC(=O)C2CC2)CCCCC1
InChIInChI=1S/C13H23N3O2/c14-13(6-2-1-3-7-13)12(18)16-9-8-15-11(17)10-4-5-10/h10H,1-9,14H2,(H,15,17)(H,16,18)
InChIKeyPKTNKPSVGURETJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.29
Rot. Bonds5

About 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 115733626) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID115733626
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCNC(=O)C2CC2)CCCCC1
InChIInChI=1S/C13H23N3O2/c14-13(6-2-1-3-7-13)12(18)16-9-8-15-11(17)10-4-5-10/h10H,1-9,14H2,(H,15,17)(H,16,18)
InChIKeyPKTNKPSVGURETJ-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.29
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

1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclopropane-1-carboxamide
CID 115738006
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
CID 119313827
1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
1-amino-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119290205
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide (CID 115733626) is 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCNC(=O)C2CC2)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PKTNKPSVGURETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-13(6-2-1-3-7-13)12(18)16-9-8-15-11(17)10-4-5-10/h10H,1-9,14H2,(H,15,17)(H,16,18).
What are the key properties of 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).