2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine

C18H24N2 — CID 142095216

IUPAC2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
SMILESCC1=C(C)CCC(CNC2Cc3ccc(N)cc3C2)=C1
InChIInChI=1S/C18H24N2/c1-12-3-4-14(7-13(12)2)11-20-18-9-15-5-6-17(19)8-16(15)10-18/h5-8,18,20H,3-4,9-11,19H2,1-2H3
InChIKeyWSYYMTXZIRMCCF-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.38
Rot. Bonds3

About 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine

2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine (PubChem CID 142095216) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
PubChem CID142095216
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine
SMILESCC1=C(C)CCC(CNC2Cc3ccc(N)cc3C2)=C1
InChIInChI=1S/C18H24N2/c1-12-3-4-14(7-13(12)2)11-20-18-9-15-5-6-17(19)8-16(15)10-18/h5-8,18,20H,3-4,9-11,19H2,1-2H3
InChIKeyWSYYMTXZIRMCCF-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
The IUPAC name of 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine (CID 142095216) is 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine.
What is the SMILES notation for 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
The canonical SMILES for 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine is CC1=C(C)CCC(CNC2Cc3ccc(N)cc3C2)=C1.
What is the InChIKey of 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
The InChIKey is WSYYMTXZIRMCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-3-4-14(7-13(12)2)11-20-18-9-15-5-6-17(19)8-16(15)10-18/h5-8,18,20H,3-4,9-11,19H2,1-2H3.
What are the key properties of 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine?
2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydro-1H-indene-2,5-diamine is sourced from PubChem (CID 142095216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).