1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine

C14H23N — CID 579932

IUPAC1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine
SMILESC1=CCC(CNCC2CC=CCC2)CC1
InChIInChI=1S/C14H23N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-3,5,13-15H,4,6-12H2
InChIKeyHMKWSMDHESAPGS-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.29
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine

1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine (PubChem CID 579932) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine
PubChem CID579932
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine
SMILESC1=CCC(CNCC2CC=CCC2)CC1
InChIInChI=1S/C14H23N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-3,5,13-15H,4,6-12H2
InChIKeyHMKWSMDHESAPGS-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine (CID 579932) is 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine is C1=CCC(CNCC2CC=CCC2)CC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine?
The InChIKey is HMKWSMDHESAPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-3,5,13-15H,4,6-12H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine?
1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine has a molecular weight of 205.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-(cyclohex-3-en-1-ylmethyl)methanamine is sourced from PubChem (CID 579932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).