4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide

C14H24N2O — CID 79394924

IUPAC4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
SMILESO=C(CCCNCC1CC=CCC1)NC1CC1
InChIInChI=1S/C14H24N2O/c17-14(16-13-8-9-13)7-4-10-15-11-12-5-2-1-3-6-12/h1-2,12-13,15H,3-11H2,(H,16,17)
InChIKeyHXSOYMPDPNOMNA-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds7

About 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide

4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide (PubChem CID 79394924) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
PubChem CID79394924
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
SMILESO=C(CCCNCC1CC=CCC1)NC1CC1
InChIInChI=1S/C14H24N2O/c17-14(16-13-8-9-13)7-4-10-15-11-12-5-2-1-3-6-12/h1-2,12-13,15H,3-11H2,(H,16,17)
InChIKeyHXSOYMPDPNOMNA-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
CID 107267824
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
CID 83211813
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053079
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
CID 81429288

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide (CID 79394924) is 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide is O=C(CCCNCC1CC=CCC1)NC1CC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide?
The InChIKey is HXSOYMPDPNOMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14(16-13-8-9-13)7-4-10-15-11-12-5-2-1-3-6-12/h1-2,12-13,15H,3-11H2,(H,16,17).
What are the key properties of 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide?
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide has a molecular weight of 236.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide is sourced from PubChem (CID 79394924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).