1-methylcyclooctane-1,2-diamine

C9H20N2 — CID 134570208

IUPAC1-methylcyclooctane-1,2-diamine
SMILESCC1(N)CCCCCCC1N
InChIInChI=1S/C9H20N2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7,10-11H2,1H3
InChIKeyVJXMTIYPXOQQPD-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.39
Rot. Bonds

About 1-methylcyclooctane-1,2-diamine

1-methylcyclooctane-1,2-diamine (PubChem CID 134570208) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-methylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name1-methylcyclooctane-1,2-diamine
PubChem CID134570208
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-methylcyclooctane-1,2-diamine
SMILESCC1(N)CCCCCCC1N
InChIInChI=1S/C9H20N2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7,10-11H2,1H3
InChIKeyVJXMTIYPXOQQPD-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclooctane-1,2-diamine?
The IUPAC name of 1-methylcyclooctane-1,2-diamine (CID 134570208) is 1-methylcyclooctane-1,2-diamine.
What is the SMILES notation for 1-methylcyclooctane-1,2-diamine?
The canonical SMILES for 1-methylcyclooctane-1,2-diamine is CC1(N)CCCCCCC1N.
What is the InChIKey of 1-methylcyclooctane-1,2-diamine?
The InChIKey is VJXMTIYPXOQQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7,10-11H2,1H3.
What are the key properties of 1-methylcyclooctane-1,2-diamine?
1-methylcyclooctane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclooctane-1,2-diamine is sourced from PubChem (CID 134570208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).