N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine

C16H29N3 — CID 63695069

IUPACN'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNC(C)c1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C16H29N3/c1-6-17-14(2)15-8-10-16(11-9-15)19(5)13-7-12-18(3)4/h8-11,14,17H,6-7,12-13H2,1-5H3
InChIKeyOETFRYBMJGWXBN-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.74
Rot. Bonds8

About N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63695069) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63695069
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNC(C)c1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C16H29N3/c1-6-17-14(2)15-8-10-16(11-9-15)19(5)13-7-12-18(3)4/h8-11,14,17H,6-7,12-13H2,1-5H3
InChIKeyOETFRYBMJGWXBN-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 79850828
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CID 62333161
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 61415085
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
N-[4-[1-(ethylamino)ethyl]phenyl]-N,3,5-trimethylaniline
CID 63533292
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
N'-[4-[(1S)-1-aminoethyl]phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994146
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
CID 63532676
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558

Frequently Asked Questions

What is the IUPAC name of N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63695069) is N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine is CCNC(C)c1ccc(N(C)CCCN(C)C)cc1.
What is the InChIKey of N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is OETFRYBMJGWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-17-14(2)15-8-10-16(11-9-15)19(5)13-7-12-18(3)4/h8-11,14,17H,6-7,12-13H2,1-5H3.
What are the key properties of N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63695069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).