N-methyl-N-[4-(propylamino)cyclohexyl]propanamide

C13H26N2O — CID 79122945

IUPACN-methyl-N-[4-(propylamino)cyclohexyl]propanamide
SMILESCCCNC1CCC(N(C)C(=O)CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-10-14-11-6-8-12(9-7-11)15(3)13(16)5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyJDAPWDCLDFJEOB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-N-[4-(propylamino)cyclohexyl]propanamide

N-methyl-N-[4-(propylamino)cyclohexyl]propanamide (PubChem CID 79122945) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-[4-(propylamino)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propylamino)cyclohexyl]propanamide
PubChem CID79122945
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-[4-(propylamino)cyclohexyl]propanamide
SMILESCCCNC1CCC(N(C)C(=O)CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-10-14-11-6-8-12(9-7-11)15(3)13(16)5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyJDAPWDCLDFJEOB-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
CID 103017156
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
CID 79122716
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
CID 79122871
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]propanamide?
The IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]propanamide (CID 79122945) is N-methyl-N-[4-(propylamino)cyclohexyl]propanamide.
What is the SMILES notation for N-methyl-N-[4-(propylamino)cyclohexyl]propanamide?
The canonical SMILES for N-methyl-N-[4-(propylamino)cyclohexyl]propanamide is CCCNC1CCC(N(C)C(=O)CC)CC1.
What is the InChIKey of N-methyl-N-[4-(propylamino)cyclohexyl]propanamide?
The InChIKey is JDAPWDCLDFJEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10-14-11-6-8-12(9-7-11)15(3)13(16)5-2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-[4-(propylamino)cyclohexyl]propanamide?
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propylamino)cyclohexyl]propanamide is sourced from PubChem (CID 79122945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).