3,5-dimethyl-2-methylidenehexan-1-imine

C9H17N — CID 123392141

IUPAC3,5-dimethyl-2-methylidenehexan-1-imine
SMILES[H]/N=C/C(=C)C(C)CC(C)C
InChIInChI=1S/C9H17N/c1-7(2)5-8(3)9(4)6-10/h6-8,10H,4-5H2,1-3H3/b10-6+
InChIKeyPNNQAGXUAZQCPV-UXBLZVDNSA-N
MW139.24 g/mol
LogP2.87
Rot. Bonds4

About 3,5-dimethyl-2-methylidenehexan-1-imine

3,5-dimethyl-2-methylidenehexan-1-imine (PubChem CID 123392141) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylidenehexan-1-imine.

Molecular Properties

Compound Name3,5-dimethyl-2-methylidenehexan-1-imine
PubChem CID123392141
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,5-dimethyl-2-methylidenehexan-1-imine
SMILES[H]/N=C/C(=C)C(C)CC(C)C
InChIInChI=1S/C9H17N/c1-7(2)5-8(3)9(4)6-10/h6-8,10H,4-5H2,1-3H3/b10-6+
InChIKeyPNNQAGXUAZQCPV-UXBLZVDNSA-N
XLogP2.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-methylidenepentan-1-imine
CID 58352435
(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
2-(Cyclopropylmethyl)prop-2-en-1-imine
CID 90880195
5,6-Dimethylhept-6-en-1-imine
CID 91525775
4-Ethyl-7-methyloct-7-en-1-imine
CID 123335226
2-Propylpent-4-en-1-imine
CID 123447448
3,6,8-Trimethyldec-5-en-1-imine
CID 123837565
(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine
CID 126592729
(5S)-5-methyl-6-methylideneoctan-1-imine
CID 126592938
(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine
CID 126592941
4-Methyl-3-methylidenehexan-1-imine
CID 134484933

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylidenehexan-1-imine?
The IUPAC name of 3,5-dimethyl-2-methylidenehexan-1-imine (CID 123392141) is 3,5-dimethyl-2-methylidenehexan-1-imine.
What is the SMILES notation for 3,5-dimethyl-2-methylidenehexan-1-imine?
The canonical SMILES for 3,5-dimethyl-2-methylidenehexan-1-imine is [H]/N=C/C(=C)C(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-2-methylidenehexan-1-imine?
The InChIKey is PNNQAGXUAZQCPV-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)5-8(3)9(4)6-10/h6-8,10H,4-5H2,1-3H3/b10-6+.
What are the key properties of 3,5-dimethyl-2-methylidenehexan-1-imine?
3,5-dimethyl-2-methylidenehexan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylidenehexan-1-imine is sourced from PubChem (CID 123392141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).