N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine

C10H18N2 — CID 89157374

IUPACN'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1=CCCC=C1
InChIInChI=1S/C10H18N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9,11H2,1H3
InChIKeyYTWLKHAARFBLNX-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.50
Rot. Bonds4

About N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine

N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine (PubChem CID 89157374) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine
PubChem CID89157374
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1=CCCC=C1
InChIInChI=1S/C10H18N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9,11H2,1H3
InChIKeyYTWLKHAARFBLNX-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine (CID 89157374) is N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine is CN(CCCN)C1=CCCC=C1.
What is the InChIKey of N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine?
The InChIKey is YTWLKHAARFBLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9,11H2,1H3.
What are the key properties of N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine?
N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexa-1,5-dien-1-yl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 89157374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).