N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine

C17H30N2 — CID 79659967

IUPACN'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
SMILESCCN(CCC(C)c1ccccc1)CC(C)(C)CN
InChIInChI=1S/C17H30N2/c1-5-19(14-17(3,4)13-18)12-11-15(2)16-9-7-6-8-10-16/h6-10,15H,5,11-14,18H2,1-4H3
InChIKeyUQFGUZVYCLYJKF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.49
Rot. Bonds8

About N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine (PubChem CID 79659967) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
PubChem CID79659967
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
SMILESCCN(CCC(C)c1ccccc1)CC(C)(C)CN
InChIInChI=1S/C17H30N2/c1-5-19(14-17(3,4)13-18)12-11-15(2)16-9-7-6-8-10-16/h6-10,15H,5,11-14,18H2,1-4H3
InChIKeyUQFGUZVYCLYJKF-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
N'-ethyl-N,N-dimethyl-N'-[(3S)-3-phenylbutyl]ethane-1,2-diamine
CID 2059338
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one
CID 82907637
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
CID 79662075
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine (CID 79659967) is N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine is CCN(CCC(C)c1ccccc1)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine?
The InChIKey is UQFGUZVYCLYJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-19(14-17(3,4)13-18)12-11-15(2)16-9-7-6-8-10-16/h6-10,15H,5,11-14,18H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine is sourced from PubChem (CID 79659967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).