1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide

C19H31N3O — CID 119863121

IUPAC1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C19H31N3O/c1-15(2)22(3)14-17-9-7-8-16(12-17)13-21-18(23)19(20)10-5-4-6-11-19/h7-9,12,15H,4-6,10-11,13-14,20H2,1-3H3,(H,21,23)
InChIKeyMGQUBINNFXRUSZ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.80
Rot. Bonds6

About 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119863121) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119863121
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C19H31N3O/c1-15(2)22(3)14-17-9-7-8-16(12-17)13-21-18(23)19(20)10-5-4-6-11-19/h7-9,12,15H,4-6,10-11,13-14,20H2,1-3H3,(H,21,23)
InChIKeyMGQUBINNFXRUSZ-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119898241
1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899255
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645298
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide (CID 119863121) is 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide is CC(C)N(C)Cc1cccc(CNC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is MGQUBINNFXRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(2)22(3)14-17-9-7-8-16(12-17)13-21-18(23)19(20)10-5-4-6-11-19/h7-9,12,15H,4-6,10-11,13-14,20H2,1-3H3,(H,21,23).
What are the key properties of 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119863121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).