(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine

C15H29NO2 — CID 143043912

IUPAC(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
SMILESCCCCN(C)C/C(C)=C(/C/C=C(\C)OC)OC
InChIInChI=1S/C15H29NO2/c1-7-8-11-16(4)12-13(2)15(18-6)10-9-14(3)17-5/h9H,7-8,10-12H2,1-6H3/b14-9+,15-13-
InChIKeyXDPQBGASNDBUOZ-NECJJZFNSA-N
MW255.40 g/mol
LogP3.58
Rot. Bonds9

About (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine

(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine (PubChem CID 143043912) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
PubChem CID143043912
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
SMILESCCCCN(C)C/C(C)=C(/C/C=C(\C)OC)OC
InChIInChI=1S/C15H29NO2/c1-7-8-11-16(4)12-13(2)15(18-6)10-9-14(3)17-5/h9H,7-8,10-12H2,1-6H3/b14-9+,15-13-
InChIKeyXDPQBGASNDBUOZ-NECJJZFNSA-N
XLogP3.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
CID 123964482
3-Butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
CID 141207116
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 163914886
(3,5-Dimethoxy-1-cyclohexa-2,5-dienyl)methyl-diethyl-amine
CID 15421831
1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
CID 45091076
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 143074213

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?
The IUPAC name of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine (CID 143043912) is (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?
The canonical SMILES for (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine is CCCCN(C)C/C(C)=C(/C/C=C(\C)OC)OC.
What is the InChIKey of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?
The InChIKey is XDPQBGASNDBUOZ-NECJJZFNSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-8-11-16(4)12-13(2)15(18-6)10-9-14(3)17-5/h9H,7-8,10-12H2,1-6H3/b14-9+,15-13-.
What are the key properties of (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine?
(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 143043912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).