N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

C17H30N2 — CID 62619592

IUPACN,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(CC)C(C)C
InChIInChI=1S/C17H30N2/c1-6-18-17(16-11-9-8-10-12-16)15(5)13-19(7-2)14(3)4/h8-12,14-15,17-18H,6-7,13H2,1-5H3
InChIKeyKLPSEESGOOWPJZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.70
Rot. Bonds8

About N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62619592) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62619592
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(CC)C(C)C
InChIInChI=1S/C17H30N2/c1-6-18-17(16-11-9-8-10-12-16)15(5)13-19(7-2)14(3)4/h8-12,14-15,17-18H,6-7,13H2,1-5H3
InChIKeyKLPSEESGOOWPJZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 63495953
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (CID 62619592) is N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is CCNC(c1ccccc1)C(C)CN(CC)C(C)C.
What is the InChIKey of N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KLPSEESGOOWPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-18-17(16-11-9-8-10-12-16)15(5)13-19(7-2)14(3)4/h8-12,14-15,17-18H,6-7,13H2,1-5H3.
What are the key properties of N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62619592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).