bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane

C24H46N2 — CID 158395623

IUPACbis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane
SMILESC.C.CC(C)=C1C=C(N(C)C)CCC1.CC(C)=C1C=C(N(C)C)CCC1
InChIInChI=1S/2C11H19N.2CH4/c2*1-9(2)10-6-5-7-11(8-10)12(3)4;;/h2*8H,5-7H2,1-4H3;2*1H4
InChIKeyGXMWTKYKRJDCKR-UHFFFAOYSA-N
MW362.65 g/mol
LogP7.18
Rot. Bonds2

About bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane

bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane (PubChem CID 158395623) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane.

Molecular Properties

Compound Namebis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane
PubChem CID158395623
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Namebis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane
SMILESC.C.CC(C)=C1C=C(N(C)C)CCC1.CC(C)=C1C=C(N(C)C)CCC1
InChIInChI=1S/2C11H19N.2CH4/c2*1-9(2)10-6-5-7-11(8-10)12(3)4;;/h2*8H,5-7H2,1-4H3;2*1H4
InChIKeyGXMWTKYKRJDCKR-UHFFFAOYSA-N
XLogP7.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane?
The IUPAC name of bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane (CID 158395623) is bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane.
What is the SMILES notation for bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane?
The canonical SMILES for bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane is C.C.CC(C)=C1C=C(N(C)C)CCC1.CC(C)=C1C=C(N(C)C)CCC1.
What is the InChIKey of bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane?
The InChIKey is GXMWTKYKRJDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19N.2CH4/c2*1-9(2)10-6-5-7-11(8-10)12(3)4;;/h2*8H,5-7H2,1-4H3;2*1H4.
What are the key properties of bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane?
bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane has a molecular weight of 362.65 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-3-propan-2-ylidenecyclohexen-1-amine);methane is sourced from PubChem (CID 158395623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).