4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide

C14H27N3O2 — CID 60846570

IUPAC4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyKPPJYFJYCJJBME-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.34
Rot. Bonds5

About 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide

4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 60846570) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
PubChem CID60846570
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyKPPJYFJYCJJBME-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
4-(benzenesulfonamidomethyl)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 20968626
1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 95778134
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide (CID 60846570) is 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is KPPJYFJYCJJBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide?
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60846570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).