N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine

C17H30N2 — CID 54806414

IUPACN'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
SMILESCCCCCCCNCCN(CC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-3-5-6-7-11-14-18-15-16-19(4-2)17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3
InChIKeyQYTZNYQEBGZKPT-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.07
Rot. Bonds11

About N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine

N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine (PubChem CID 54806414) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
PubChem CID54806414
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
SMILESCCCCCCCNCCN(CC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-3-5-6-7-11-14-18-15-16-19(4-2)17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3
InChIKeyQYTZNYQEBGZKPT-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 62424864
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62573370
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55085608
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
N-(4-butoxyphenyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 54806162
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine (CID 54806414) is N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine is CCCCCCCNCCN(CC)c1ccccc1.
What is the InChIKey of N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine?
The InChIKey is QYTZNYQEBGZKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-5-6-7-11-14-18-15-16-19(4-2)17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3.
What are the key properties of N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine?
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 54806414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).