N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine

C18H30N2O — CID 62630443

IUPACN,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCNC(CCN(C)CC1CCCCO1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-15-8-4-5-10-17(15)18(19-2)11-12-20(3)14-16-9-6-7-13-21-16/h4-5,8,10,16,18-19H,6-7,9,11-14H2,1-3H3
InChIKeyJAKUKRCRPOLARL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.15
Rot. Bonds7

About N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine

N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 62630443) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID62630443
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCNC(CCN(C)CC1CCCCO1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-15-8-4-5-10-17(15)18(19-2)11-12-20(3)14-16-9-6-7-13-21-16/h4-5,8,10,16,18-19H,6-7,9,11-14H2,1-3H3
InChIKeyJAKUKRCRPOLARL-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624909
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
CID 62631147
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62630412
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
1-(2-bromophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713061
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 62630443) is N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CNC(CCN(C)CC1CCCCO1)c1ccccc1C.
What is the InChIKey of N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is JAKUKRCRPOLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-8-4-5-10-17(15)18(19-2)11-12-20(3)14-16-9-6-7-13-21-16/h4-5,8,10,16,18-19H,6-7,9,11-14H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62630443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).