N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide

C14H25N3O — CID 146107005

IUPACN-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1N1CCCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-14(18)15-12-6-4-7-13(12)17-9-5-8-16(2)10-11-17/h3,12-13H,1,4-11H2,2H3,(H,15,18)
InChIKeyCFZOKGCEKLNUPL-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.85
Rot. Bonds3

About N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide

N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide (PubChem CID 146107005) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide
PubChem CID146107005
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1N1CCCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-14(18)15-12-6-4-7-13(12)17-9-5-8-16(2)10-11-17/h3,12-13H,1,4-11H2,2H3,(H,15,18)
InChIKeyCFZOKGCEKLNUPL-UHFFFAOYSA-N
XLogP0.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Cyclopentylpiperazin-4-ium-1-yl)prop-2-en-1-one
CID 102365386
Trimethyl-[1-(prop-2-enoylamino)pentan-2-yl]azanium chloride
CID 19937024
N-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enamide
CID 43616263
N-(2-aminocyclopentyl)prop-2-enamide
CID 63251837
N-(azepan-3-yl)prop-2-enamide
CID 64006007
1-(2-Methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 69019048
N-[2-[bis(prop-2-enyl)amino]cyclopentyl]acetamide
CID 74343730
Ethyl-dimethyl-[3-(prop-2-enoylamino)pentyl]azanium
CID 87943662
Triethyl-[3-(prop-2-enoylamino)pentyl]azanium
CID 87943670
Trimethyl-[3-(prop-2-enoylamino)pentyl]azanium
CID 87944064
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510
N-[(1S,2S)-2-aminocyclopentyl]prop-2-enamide
CID 90330991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
The IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide (CID 146107005) is N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCCC1N1CCCN(C)CC1.
What is the InChIKey of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
The InChIKey is CFZOKGCEKLNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-14(18)15-12-6-4-7-13(12)17-9-5-8-16(2)10-11-17/h3,12-13H,1,4-11H2,2H3,(H,15,18).
What are the key properties of N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide?
N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 146107005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).