N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine

C15H26N2 — CID 2059221

IUPACN'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
SMILESCCN(CCCc1ccccc1)CCN(C)C
InChIInChI=1S/C15H26N2/c1-4-17(14-13-16(2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3
InChIKeyZYPVKPDOCXGLEH-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.50
Rot. Bonds8

About N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine

N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine (PubChem CID 2059221) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
PubChem CID2059221
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
SMILESCCN(CCCc1ccccc1)CCN(C)C
InChIInChI=1S/C15H26N2/c1-4-17(14-13-16(2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3
InChIKeyZYPVKPDOCXGLEH-UHFFFAOYSA-N
XLogP2.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
4-[[2-(dimethylamino)ethyl-(3-phenylpropyl)amino]methyl]benzoic acid
CID 122034298

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine (CID 2059221) is N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine is CCN(CCCc1ccccc1)CCN(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine?
The InChIKey is ZYPVKPDOCXGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-17(14-13-16(2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14H2,1-3H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 2059221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).