N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine

C20H37N — CID 126625125

IUPACN,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine
SMILESC=C(C)CC(C(=C)CCCN(C)C(=C)CC(C)C)C(C)C
InChIInChI=1S/C20H37N/c1-15(2)13-19(8)21(9)12-10-11-18(7)20(17(5)6)14-16(3)4/h15,17,20H,3,7-8,10-14H2,1-2,4-6,9H3
InChIKeyXOINGRKJOXTYKL-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.05
Rot. Bonds11

About N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine

N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine (PubChem CID 126625125) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine.

Molecular Properties

Compound NameN,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine
PubChem CID126625125
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine
SMILESC=C(C)CC(C(=C)CCCN(C)C(=C)CC(C)C)C(C)C
InChIInChI=1S/C20H37N/c1-15(2)13-19(8)21(9)12-10-11-18(7)20(17(5)6)14-16(3)4/h15,17,20H,3,7-8,10-14H2,1-2,4-6,9H3
InChIKeyXOINGRKJOXTYKL-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
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-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine?
The IUPAC name of N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine (CID 126625125) is N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine.
What is the SMILES notation for N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine?
The canonical SMILES for N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine is C=C(C)CC(C(=C)CCCN(C)C(=C)CC(C)C)C(C)C.
What is the InChIKey of N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine?
The InChIKey is XOINGRKJOXTYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-15(2)13-19(8)21(9)12-10-11-18(7)20(17(5)6)14-16(3)4/h15,17,20H,3,7-8,10-14H2,1-2,4-6,9H3.
What are the key properties of N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine?
N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine has a molecular weight of 291.52 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine is sourced from PubChem (CID 126625125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).