N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene

C14H31NO — CID 142009572

IUPACN-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene
SMILESC=CC.CCC(C)(C)CCN(C)CCOC
InChIInChI=1S/C11H25NO.C3H6/c1-6-11(2,3)7-8-12(4)9-10-13-5;1-3-2/h6-10H2,1-5H3;3H,1H2,2H3
InChIKeyVUYMLDAKURKXIU-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.58
Rot. Bonds7

About N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene

N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene (PubChem CID 142009572) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene
PubChem CID142009572
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene
SMILESC=CC.CCC(C)(C)CCN(C)CCOC
InChIInChI=1S/C11H25NO.C3H6/c1-6-11(2,3)7-8-12(4)9-10-13-5;1-3-2/h6-10H2,1-5H3;3H,1H2,2H3
InChIKeyVUYMLDAKURKXIU-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene
CID 142009383
Methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine
CID 142009450
1-(2-Methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene
CID 142009708
N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-en-1-amine
CID 25269318
2,2-diethyl-N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339358
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine
CID 142009573

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene?
The IUPAC name of N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene (CID 142009572) is N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene.
What is the SMILES notation for N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene?
The canonical SMILES for N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene is C=CC.CCC(C)(C)CCN(C)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene?
The InChIKey is VUYMLDAKURKXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.C3H6/c1-6-11(2,3)7-8-12(4)9-10-13-5;1-3-2/h6-10H2,1-5H3;3H,1H2,2H3.
What are the key properties of N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene?
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene has a molecular weight of 229.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene is sourced from PubChem (CID 142009572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).