N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine

C18H33N — CID 167004686

IUPACN,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine
SMILESC=CCCC(C(C)CC)N(C)C(=C)C(=C)CC(C)C
InChIInChI=1S/C18H33N/c1-9-11-12-18(15(5)10-2)19(8)17(7)16(6)13-14(3)4/h9,14-15,18H,1,6-7,10-13H2,2-5,8H3
InChIKeyPDJISOAVYLMZER-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.42
Rot. Bonds10

About N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine

N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine (PubChem CID 167004686) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine
PubChem CID167004686
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine
SMILESC=CCCC(C(C)CC)N(C)C(=C)C(=C)CC(C)C
InChIInChI=1S/C18H33N/c1-9-11-12-18(15(5)10-2)19(8)17(7)16(6)13-14(3)4/h9,14-15,18H,1,6-7,10-13H2,2-5,8H3
InChIKeyPDJISOAVYLMZER-UHFFFAOYSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine?
The IUPAC name of N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine (CID 167004686) is N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine.
What is the SMILES notation for N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine?
The canonical SMILES for N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine is C=CCCC(C(C)CC)N(C)C(=C)C(=C)CC(C)C.
What is the InChIKey of N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine?
The InChIKey is PDJISOAVYLMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-9-11-12-18(15(5)10-2)19(8)17(7)16(6)13-14(3)4/h9,14-15,18H,1,6-7,10-13H2,2-5,8H3.
What are the key properties of N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine?
N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine has a molecular weight of 263.47 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(5-methyl-3-methylidenehex-1-en-2-yl)oct-7-en-4-amine is sourced from PubChem (CID 167004686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).