N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine

C14H26N4 — CID 69241095

IUPACN'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCc1cccc(CNCCNCCNCCN)c1
InChIInChI=1S/C14H26N4/c1-13-3-2-4-14(11-13)12-18-10-9-17-8-7-16-6-5-15/h2-4,11,16-18H,5-10,12,15H2,1H3
InChIKeyPYJAPAPRAXXXNF-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.22
Rot. Bonds10

About N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 69241095) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID69241095
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCc1cccc(CNCCNCCNCCN)c1
InChIInChI=1S/C14H26N4/c1-13-3-2-4-14(11-13)12-18-10-9-17-8-7-16-6-5-15/h2-4,11,16-18H,5-10,12,15H2,1H3
InChIKeyPYJAPAPRAXXXNF-UHFFFAOYSA-N
XLogP0.22
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
CID 107845610
N-[(3-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 71930850
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
N'-hydroxy-4-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080
2-ethylsulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 60902906
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
3-(3-methylphenyl)propan-1-amine
CID 12666388

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 69241095) is N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine is Cc1cccc(CNCCNCCNCCN)c1.
What is the InChIKey of N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is PYJAPAPRAXXXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13-3-2-4-14(11-13)12-18-10-9-17-8-7-16-6-5-15/h2-4,11,16-18H,5-10,12,15H2,1H3.
What are the key properties of N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 0.22, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 69241095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).