3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide

C15H31N3O — CID 80700385

IUPAC3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
SMILESCC(C)N(C)CCNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C15H31N3O/c1-12(2)18(3)10-9-17-15(19)8-7-13-5-4-6-14(16)11-13/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyBZOKRYNDBUJBIF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide

3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide (PubChem CID 80700385) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
PubChem CID80700385
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
SMILESCC(C)N(C)CCNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C15H31N3O/c1-12(2)18(3)10-9-17-15(19)8-7-13-5-4-6-14(16)11-13/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyBZOKRYNDBUJBIF-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 80693936
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114
3-(3-aminocyclohexyl)-N-methyl-N-propan-2-ylpropanamide
CID 80701423
3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 80700809
3-(3-aminocyclohexyl)-N-butan-2-yl-N-methylpropanamide
CID 80701676
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide (CID 80700385) is 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide is CC(C)N(C)CCNC(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide?
The InChIKey is BZOKRYNDBUJBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)18(3)10-9-17-15(19)8-7-13-5-4-6-14(16)11-13/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide?
3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 80700385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).