N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine

C18H30N2O — CID 63713541

IUPACN,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)CC1CCOCC1
InChIInChI=1S/C18H30N2O/c1-15(18(19-2)17-7-5-4-6-8-17)13-20(3)14-16-9-11-21-12-10-16/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyQCIZOCGDQVEOIP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.94
Rot. Bonds7

About N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine

N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine (PubChem CID 63713541) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
PubChem CID63713541
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)CC1CCOCC1
InChIInChI=1S/C18H30N2O/c1-15(18(19-2)17-7-5-4-6-8-17)13-20(3)14-16-9-11-21-12-10-16/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyQCIZOCGDQVEOIP-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62860142
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
N,N',2-trimethyl-N'-(2-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62618953
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine (CID 63713541) is N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine is CNC(c1ccccc1)C(C)CN(C)CC1CCOCC1.
What is the InChIKey of N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
The InChIKey is QCIZOCGDQVEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(18(19-2)17-7-5-4-6-8-17)13-20(3)14-16-9-11-21-12-10-16/h4-8,15-16,18-19H,9-14H2,1-3H3.
What are the key properties of N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine?
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63713541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).