2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine

C13H21N — CID 170150480

IUPAC2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine
SMILESC=C=C=CCC(=C)CC(C)C(C)(C)N
InChIInChI=1S/C13H21N/c1-6-7-8-9-11(2)10-12(3)13(4,5)14/h8,12H,1-2,9-10,14H2,3-5H3
InChIKeyNMVNEGIBUCTXNF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.19
Rot. Bonds5

About 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine

2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine (PubChem CID 170150480) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine
PubChem CID170150480
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine
SMILESC=C=C=CCC(=C)CC(C)C(C)(C)N
InChIInChI=1S/C13H21N/c1-6-7-8-9-11(2)10-12(3)13(4,5)14/h8,12H,1-2,9-10,14H2,3-5H3
InChIKeyNMVNEGIBUCTXNF-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.19
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 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine?
The IUPAC name of 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine (CID 170150480) is 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine.
What is the SMILES notation for 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine?
The canonical SMILES for 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine is C=C=C=CCC(=C)CC(C)C(C)(C)N.
What is the InChIKey of 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine?
The InChIKey is NMVNEGIBUCTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-6-7-8-9-11(2)10-12(3)13(4,5)14/h8,12H,1-2,9-10,14H2,3-5H3.
What are the key properties of 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine?
2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-methylidenedeca-7,8,9-trien-2-amine is sourced from PubChem (CID 170150480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).