N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine

C19H32N2 — CID 62411782

IUPACN,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C19H32N2/c1-15(2)20-13-17-6-5-7-18(12-17)14-21(4)19-10-8-16(3)9-11-19/h5-7,12,15-16,19-20H,8-11,13-14H2,1-4H3
InChIKeyOVAIVPCGTLHYQX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds6

About N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine

N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine (PubChem CID 62411782) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
PubChem CID62411782
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C19H32N2/c1-15(2)20-13-17-6-5-7-18(12-17)14-21(4)19-10-8-16(3)9-11-19/h5-7,12,15-16,19-20H,8-11,13-14H2,1-4H3
InChIKeyOVAIVPCGTLHYQX-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]thiolan-3-amine
CID 62427604
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
N-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclopropanamine
CID 62018353
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 102771970
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62421643
N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
CID 62423017
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine (CID 62411782) is N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine is CC1CCC(N(C)Cc2cccc(CNC(C)C)c2)CC1.
What is the InChIKey of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine?
The InChIKey is OVAIVPCGTLHYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)20-13-17-6-5-7-18(12-17)14-21(4)19-10-8-16(3)9-11-19/h5-7,12,15-16,19-20H,8-11,13-14H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine?
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62411782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).