N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide

C16H31N3O — CID 23140163

IUPACN-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide
SMILESCCCN(CCC)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-3-10-18(11-4-2)15-12-19(13-15)16(20)17-14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyLRNGPACDQGREIU-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.83
Rot. Bonds6

About N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide

N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide (PubChem CID 23140163) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide
PubChem CID23140163
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide
SMILESCCCN(CCC)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-3-10-18(11-4-2)15-12-19(13-15)16(20)17-14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyLRNGPACDQGREIU-UHFFFAOYSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
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CID 3398150
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CID 858169

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide (CID 23140163) is N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide is CCCN(CCC)C1CN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide?
The InChIKey is LRNGPACDQGREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-10-18(11-4-2)15-12-19(13-15)16(20)17-14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide?
N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide is sourced from PubChem (CID 23140163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).