[2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine

C15H28N2 — CID 175979115

IUPAC[2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine
SMILESCC(C)C=C1CCC(/N=C/C(C)C)CC1CN
InChIInChI=1S/C15H28N2/c1-11(2)7-13-5-6-15(8-14(13)9-16)17-10-12(3)4/h7,10-12,14-15H,5-6,8-9,16H2,1-4H3/b13-7?,17-10+
InChIKeySSEICFYUCJMODK-HZRMIOLXSA-N
MW236.40 g/mol
LogP3.42
Rot. Bonds4

About [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine

[2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine (PubChem CID 175979115) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine
PubChem CID175979115
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name[2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine
SMILESCC(C)C=C1CCC(/N=C/C(C)C)CC1CN
InChIInChI=1S/C15H28N2/c1-11(2)7-13-5-6-15(8-14(13)9-16)17-10-12(3)4/h7,10-12,14-15H,5-6,8-9,16H2,1-4H3/b13-7?,17-10+
InChIKeySSEICFYUCJMODK-HZRMIOLXSA-N
XLogP3.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine?
The IUPAC name of [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine (CID 175979115) is [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine is CC(C)C=C1CCC(/N=C/C(C)C)CC1CN.
What is the InChIKey of [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine?
The InChIKey is SSEICFYUCJMODK-HZRMIOLXSA-N. The full InChI is InChI=1S/C15H28N2/c1-11(2)7-13-5-6-15(8-14(13)9-16)17-10-12(3)4/h7,10-12,14-15H,5-6,8-9,16H2,1-4H3/b13-7?,17-10+.
What are the key properties of [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine?
[2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine has a molecular weight of 236.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine is sourced from PubChem (CID 175979115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).