N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine

C17H33N — CID 130306813

IUPACN,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine
SMILESC=C(CC(C)C)C(C(C)C)C(C(=C)NC)C(C)C
InChIInChI=1S/C17H33N/c1-11(2)10-14(7)16(12(3)4)17(13(5)6)15(8)18-9/h11-13,16-18H,7-8,10H2,1-6,9H3
InChIKeyLSXLPRKBUMYNJE-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.87
Rot. Bonds8

About N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine

N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine (PubChem CID 130306813) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine.

Molecular Properties

Compound NameN,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine
PubChem CID130306813
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine
SMILESC=C(CC(C)C)C(C(C)C)C(C(=C)NC)C(C)C
InChIInChI=1S/C17H33N/c1-11(2)10-14(7)16(12(3)4)17(13(5)6)15(8)18-9/h11-13,16-18H,7-8,10H2,1-6,9H3
InChIKeyLSXLPRKBUMYNJE-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.87
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 N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine?
The IUPAC name of N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine (CID 130306813) is N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine.
What is the SMILES notation for N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine?
The canonical SMILES for N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine is C=C(CC(C)C)C(C(C)C)C(C(=C)NC)C(C)C.
What is the InChIKey of N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine?
The InChIKey is LSXLPRKBUMYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-11(2)10-14(7)16(12(3)4)17(13(5)6)15(8)18-9/h11-13,16-18H,7-8,10H2,1-6,9H3.
What are the key properties of N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine?
N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine is sourced from PubChem (CID 130306813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).