2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine

C15H29NO2 — CID 123912502

IUPAC2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine
SMILESC=CC(=CC(C)CC)CN(CCOC)CCOC
InChIInChI=1S/C15H29NO2/c1-6-14(3)12-15(7-2)13-16(8-10-17-4)9-11-18-5/h7,12,14H,2,6,8-11,13H2,1,3-5H3
InChIKeyLKJWRZZZAHZTRN-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds11

About 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine

2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine (PubChem CID 123912502) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine.

Molecular Properties

Compound Name2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine
PubChem CID123912502
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine
SMILESC=CC(=CC(C)CC)CN(CCOC)CCOC
InChIInChI=1S/C15H29NO2/c1-6-14(3)12-15(7-2)13-16(8-10-17-4)9-11-18-5/h7,12,14H,2,6,8-11,13H2,1,3-5H3
InChIKeyLKJWRZZZAHZTRN-UHFFFAOYSA-N
XLogP2.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine?
The IUPAC name of 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine (CID 123912502) is 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine.
What is the SMILES notation for 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine?
The canonical SMILES for 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine is C=CC(=CC(C)CC)CN(CCOC)CCOC.
What is the InChIKey of 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine?
The InChIKey is LKJWRZZZAHZTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-14(3)12-15(7-2)13-16(8-10-17-4)9-11-18-5/h7,12,14H,2,6,8-11,13H2,1,3-5H3.
What are the key properties of 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine?
2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine is sourced from PubChem (CID 123912502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).