3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide

C17H33N3O — CID 23140632

IUPAC3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide
SMILESCC(C)CN(CC(C)C)C1CN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C17H33N3O/c1-13(2)9-19(10-14(3)4)16-11-20(12-16)17(21)18-15-7-5-6-8-15/h13-16H,5-12H2,1-4H3,(H,18,21)
InChIKeyMRDSNKAKLITGCL-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide

3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide (PubChem CID 23140632) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide
PubChem CID23140632
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide
SMILESCC(C)CN(CC(C)C)C1CN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C17H33N3O/c1-13(2)9-19(10-14(3)4)16-11-20(12-16)17(21)18-15-7-5-6-8-15/h13-16H,5-12H2,1-4H3,(H,18,21)
InChIKeyMRDSNKAKLITGCL-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
N-cyclopentyl-3-(fluoromethyl)azetidine-1-carboxamide
CID 121185052
1-Butyl-3-[2-[cyclopentyl(methyl)amino]ethyl]-1-methylurea
CID 72145276
1-Butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea
CID 22749900
1-Cyclopentyl-3-ethyl-1-(2-methylpropyl)urea
CID 22749914
N-cyclopentyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139896
N-cyclopentyl-3-piperidin-1-ylazetidine-1-carboxamide
CID 23139917
3-(dimethylamino)-N-hexylazetidine-1-carboxamide
CID 23139963
N-cyclopentyl-3-(dipropylamino)azetidine-1-carboxamide
CID 23140023
N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23140132
3-[bis(2-methylpropyl)amino]-N-hexylazetidine-1-carboxamide
CID 23140152
N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide
CID 23140163

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide (CID 23140632) is 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide is CC(C)CN(CC(C)C)C1CN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide?
The InChIKey is MRDSNKAKLITGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)9-19(10-14(3)4)16-11-20(12-16)17(21)18-15-7-5-6-8-15/h13-16H,5-12H2,1-4H3,(H,18,21).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide?
3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-cyclopentylazetidine-1-carboxamide is sourced from PubChem (CID 23140632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).