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

C13H27NO2 — CID 25269318

IUPACN,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine
SMILESC=CCC(C)(C)CN(CCOC)CCOC
InChIInChI=1S/C13H27NO2/c1-6-7-13(2,3)12-14(8-10-15-4)9-11-16-5/h6H,1,7-12H2,2-5H3
InChIKeyNWIMFKUATHLCQU-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.18
Rot. Bonds10

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

N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine (PubChem CID 25269318) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine
PubChem CID25269318
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine
SMILESC=CCC(C)(C)CN(CCOC)CCOC
InChIInChI=1S/C13H27NO2/c1-6-7-13(2,3)12-14(8-10-15-4)9-11-16-5/h6H,1,7-12H2,2-5H3
InChIKeyNWIMFKUATHLCQU-UHFFFAOYSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine (CID 25269318) is N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine is C=CCC(C)(C)CN(CCOC)CCOC.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine?
The InChIKey is NWIMFKUATHLCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-13(2,3)12-14(8-10-15-4)9-11-16-5/h6H,1,7-12H2,2-5H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine?
N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine is sourced from PubChem (CID 25269318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).