[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

(2,3,4,5-tetraethylphenyl)methanamine;hydrochloride
CID 173013560
(4-bromo-2-ethylphenyl)methanamine;ethane
CID 143720701
[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine
CID 164763782
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
(4-bromo-2,6-diethylphenyl)methanamine
CID 58266734
2,3-diethylbiphenylene
CID 134993289
1,5-diethyl-3-iodo-2,4-dimethylbenzene
CID 175748743
2-(aminomethyl)-4-bromo-6-ethylbenzenediazonium
CID 158895500
5,6-diethyl-2-benzofuran-1,3-dione
CID 86603556
[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine
CID 166776689
(2-tert-butylsulfanyl-5-ethyl-6-methyl-3-pyridinyl)methanamine
CID 19086250
1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea
CID 174777276

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).