3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide

C27H55N3O — CID 59931013

IUPAC3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide
SMILESCCCCC(CCCC)(CC(=O)N(CCCN(C)C)CCCN(C)C)C1CCCCC1
InChIInChI=1S/C27H55N3O/c1-7-9-18-27(19-10-8-2,25-16-12-11-13-17-25)24-26(31)30(22-14-20-28(3)4)23-15-21-29(5)6/h25H,7-24H2,1-6H3
InChIKeyOGKIBNALAUPBFV-UHFFFAOYSA-N
MW437.76 g/mol
LogP6.06
Rot. Bonds17

About 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide

3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide (PubChem CID 59931013) has the molecular formula C27H55N3O and a molecular weight of 437.76 g/mol. Its IUPAC name is 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide.

Molecular Properties

Compound Name3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide
PubChem CID59931013
Molecular FormulaC27H55N3O
Molecular Weight437.76 g/mol
Exact Mass437.43
IUPAC Name3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide
SMILESCCCCC(CCCC)(CC(=O)N(CCCN(C)C)CCCN(C)C)C1CCCCC1
InChIInChI=1S/C27H55N3O/c1-7-9-18-27(19-10-8-2,25-16-12-11-13-17-25)24-26(31)30(22-14-20-28(3)4)23-15-21-29(5)6/h25H,7-24H2,1-6H3
InChIKeyOGKIBNALAUPBFV-UHFFFAOYSA-N
XLogP6.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.76
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
3-(chloromethyl)heptan-3-ylcycloheptane
CID 82945588
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
CID 70926166
2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
CID 60809657
3,3-dibutylheptanoic acid;3-[3,3-dibutylheptanoyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium;N',N'-dimethylpropane-1,3-diamine
CID 158400986
N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide
CID 141461896

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide?
The IUPAC name of 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide (CID 59931013) is 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide.
What is the SMILES notation for 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide?
The canonical SMILES for 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide is CCCCC(CCCC)(CC(=O)N(CCCN(C)C)CCCN(C)C)C1CCCCC1.
What is the InChIKey of 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide?
The InChIKey is OGKIBNALAUPBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55N3O/c1-7-9-18-27(19-10-8-2,25-16-12-11-13-17-25)24-26(31)30(22-14-20-28(3)4)23-15-21-29(5)6/h25H,7-24H2,1-6H3.
What are the key properties of 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide?
3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide has a molecular weight of 437.76 g/mol, XLogP of 6.06, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide is sourced from PubChem (CID 59931013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).