N-(3-aminopropyl)cyclohexanecarboxamide

C10H20N2O — CID 24699018

IUPACN-(3-aminopropyl)cyclohexanecarboxamide
SMILESNCCCNC(=O)C1CCCCC1
InChIInChI=1S/C10H20N2O/c11-7-4-8-12-10(13)9-5-2-1-3-6-9/h9H,1-8,11H2,(H,12,13)
InChIKeyULYLWQGVHFWDEK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.03
Rot. Bonds4

About N-(3-aminopropyl)cyclohexanecarboxamide

N-(3-aminopropyl)cyclohexanecarboxamide (PubChem CID 24699018) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-aminopropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)cyclohexanecarboxamide
PubChem CID24699018
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-aminopropyl)cyclohexanecarboxamide
SMILESNCCCNC(=O)C1CCCCC1
InChIInChI=1S/C10H20N2O/c11-7-4-8-12-10(13)9-5-2-1-3-6-9/h9H,1-8,11H2,(H,12,13)
InChIKeyULYLWQGVHFWDEK-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.03
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

4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
N-(3-aminopropyl)thiane-4-carboxamide;hydrochloride
CID 119408489
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
CID 72568812
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
CID 58260226
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-aminopropyl)cyclohexanecarboxamide (CID 24699018) is N-(3-aminopropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)cyclohexanecarboxamide is NCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)cyclohexanecarboxamide?
The InChIKey is ULYLWQGVHFWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-7-4-8-12-10(13)9-5-2-1-3-6-9/h9H,1-8,11H2,(H,12,13).
What are the key properties of N-(3-aminopropyl)cyclohexanecarboxamide?
N-(3-aminopropyl)cyclohexanecarboxamide has a molecular weight of 184.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)cyclohexanecarboxamide is sourced from PubChem (CID 24699018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).