2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine

C16H30N2O — CID 144662388

IUPAC2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOC1=CC=C(N(C)C(C)(C)CN(C)C(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)17(5)12-16(3,4)18(6)14-8-10-15(19-7)11-9-14/h8,10,13H,9,11-12H2,1-7H3
InChIKeyMBRQQMWCEZXVNW-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.24
Rot. Bonds6

About 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine

2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 144662388) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID144662388
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOC1=CC=C(N(C)C(C)(C)CN(C)C(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)17(5)12-16(3,4)18(6)14-8-10-15(19-7)11-9-14/h8,10,13H,9,11-12H2,1-7H3
InChIKeyMBRQQMWCEZXVNW-UHFFFAOYSA-N
XLogP3.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine with MolForge

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Related Compounds

N'-(1-tert-butylazetidin-3-yl)-N'-iodo-N-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142022952
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106560
2-N-(3-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 144662364
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162354
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine
CID 142106561

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine (CID 144662388) is 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine is COC1=CC=C(N(C)C(C)(C)CN(C)C(C)C)CC1.
What is the InChIKey of 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is MBRQQMWCEZXVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)17(5)12-16(3,4)18(6)14-8-10-15(19-7)11-9-14/h8,10,13H,9,11-12H2,1-7H3.
What are the key properties of 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine?
2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 144662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).