(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine

C20H35NO — CID 122692218

IUPAC(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCOC(C=C(C)C)N(C/C=C(/C)CCC=C(C)C)CC1CC1
InChIInChI=1S/C20H35NO/c1-16(2)8-7-9-18(5)12-13-21(15-19-10-11-19)20(22-6)14-17(3)4/h8,12,14,19-20H,7,9-11,13,15H2,1-6H3/b18-12-
InChIKeyLMKXYHXCUQNBIF-PDGQHHTCSA-N
MW305.51 g/mol
LogP5.33
Rot. Bonds10

About (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine

(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 122692218) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID122692218
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCOC(C=C(C)C)N(C/C=C(/C)CCC=C(C)C)CC1CC1
InChIInChI=1S/C20H35NO/c1-16(2)8-7-9-18(5)12-13-21(15-19-10-11-19)20(22-6)14-17(3)4/h8,12,14,19-20H,7,9-11,13,15H2,1-6H3/b18-12-
InChIKeyLMKXYHXCUQNBIF-PDGQHHTCSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
CID 144711890

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine (CID 122692218) is (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine is COC(C=C(C)C)N(C/C=C(/C)CCC=C(C)C)CC1CC1.
What is the InChIKey of (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is LMKXYHXCUQNBIF-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H35NO/c1-16(2)8-7-9-18(5)12-13-21(15-19-10-11-19)20(22-6)14-17(3)4/h8,12,14,19-20H,7,9-11,13,15H2,1-6H3/b18-12-.
What are the key properties of (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine?
(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 305.51 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 122692218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).