N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine

C13H22N2 — CID 62618717

IUPACN,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C13H22N2/c1-11(10-15(3)4)13(14-2)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChIKeyVMSZWILJQPPVMH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.14
Rot. Bonds5

About N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine

N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine (PubChem CID 62618717) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
PubChem CID62618717
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C13H22N2/c1-11(10-15(3)4)13(14-2)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChIKeyVMSZWILJQPPVMH-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
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
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 63495953
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546

Frequently Asked Questions

What is the IUPAC name of N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine (CID 62618717) is N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine is CNC(c1ccccc1)C(C)CN(C)C.
What is the InChIKey of N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine?
The InChIKey is VMSZWILJQPPVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(10-15(3)4)13(14-2)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3.
What are the key properties of N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine?
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62618717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).