2-methyl-4-methylidenehept-5-en-2-amine

C9H17N — CID 54241827

IUPAC2-methyl-4-methylidenehept-5-en-2-amine
SMILESC=C(C=CC)CC(C)(C)N
InChIInChI=1S/C9H17N/c1-5-6-8(2)7-9(3,4)10/h5-6H,2,7,10H2,1,3-4H3
InChIKeyQQOGNCKBYWBDJI-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-4-methylidenehept-5-en-2-amine

2-methyl-4-methylidenehept-5-en-2-amine (PubChem CID 54241827) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-4-methylidenehept-5-en-2-amine.

Molecular Properties

Compound Name2-methyl-4-methylidenehept-5-en-2-amine
PubChem CID54241827
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-4-methylidenehept-5-en-2-amine
SMILESC=C(C=CC)CC(C)(C)N
InChIInChI=1S/C9H17N/c1-5-6-8(2)7-9(3,4)10/h5-6H,2,7,10H2,1,3-4H3
InChIKeyQQOGNCKBYWBDJI-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidenehept-5-en-2-amine?
The IUPAC name of 2-methyl-4-methylidenehept-5-en-2-amine (CID 54241827) is 2-methyl-4-methylidenehept-5-en-2-amine.
What is the SMILES notation for 2-methyl-4-methylidenehept-5-en-2-amine?
The canonical SMILES for 2-methyl-4-methylidenehept-5-en-2-amine is C=C(C=CC)CC(C)(C)N.
What is the InChIKey of 2-methyl-4-methylidenehept-5-en-2-amine?
The InChIKey is QQOGNCKBYWBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-8(2)7-9(3,4)10/h5-6H,2,7,10H2,1,3-4H3.
What are the key properties of 2-methyl-4-methylidenehept-5-en-2-amine?
2-methyl-4-methylidenehept-5-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidenehept-5-en-2-amine is sourced from PubChem (CID 54241827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).