N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine

C17H30N2 — CID 62619073

IUPACN,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
SMILESCCC(C)CN(C)CC(C)C(NC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-14(2)12-19(5)13-15(3)17(18-4)16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3
InChIKeySXGFNMUHPFOXGV-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.56
Rot. Bonds8

About N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine

N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine (PubChem CID 62619073) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
PubChem CID62619073
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
SMILESCCC(C)CN(C)CC(C)C(NC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-14(2)12-19(5)13-15(3)17(18-4)16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3
InChIKeySXGFNMUHPFOXGV-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.56
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',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63713541
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 63495953

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine (CID 62619073) is N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine is CCC(C)CN(C)CC(C)C(NC)c1ccccc1.
What is the InChIKey of N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine?
The InChIKey is SXGFNMUHPFOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(2)12-19(5)13-15(3)17(18-4)16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3.
What are the key properties of N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine?
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62619073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).