[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine

C11H19N3 — CID 70657615

IUPAC[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine
SMILESCCc1cc(CN)c(CN)cc1CN
InChIInChI=1S/C11H19N3/c1-2-8-3-10(6-13)11(7-14)4-9(8)5-12/h3-4H,2,5-7,12-14H2,1H3
InChIKeyDRWIPXAYUSRFGB-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.63
Rot. Bonds4

About [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine

[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine (PubChem CID 70657615) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine.

Molecular Properties

Compound Name[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine
PubChem CID70657615
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine
SMILESCCc1cc(CN)c(CN)cc1CN
InChIInChI=1S/C11H19N3/c1-2-8-3-10(6-13)11(7-14)4-9(8)5-12/h3-4H,2,5-7,12-14H2,1H3
InChIKeyDRWIPXAYUSRFGB-UHFFFAOYSA-N
XLogP0.63
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Benzenedimethanamine
CID 15133
1,4-Benzenedimethanamine
CID 68315
4-Methylbenzylamine
CID 66035
2,5-Dimethylbenzeneethanamine
CID 211415
2-Methylbenzylamine
CID 6993
3-Methylbenzylamine
CID 66015
1-(4-Methylphenyl)ethylamine
CID 577386
1-Biphenyl-2-ylmethanamine
CID 263366
4-Phenylbenzylamine
CID 344989
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
4-Isopropylbenzylamine
CID 138221
2,5-Dimethylbenzylamine
CID 66735

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine?
The IUPAC name of [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine (CID 70657615) is [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine.
What is the SMILES notation for [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine?
The canonical SMILES for [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine is CCc1cc(CN)c(CN)cc1CN.
What is the InChIKey of [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine?
The InChIKey is DRWIPXAYUSRFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-8-3-10(6-13)11(7-14)4-9(8)5-12/h3-4H,2,5-7,12-14H2,1H3.
What are the key properties of [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine?
[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(aminomethyl)-2-ethylphenyl]methanamine is sourced from PubChem (CID 70657615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).