2-methoxy-2-methyl-N-propylnon-8-en-4-amine

C14H29NO — CID 103027274

IUPAC2-methoxy-2-methyl-N-propylnon-8-en-4-amine
SMILESC=CCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C14H29NO/c1-6-8-9-10-13(15-11-7-2)12-14(3,4)16-5/h6,13,15H,1,7-12H2,2-5H3
InChIKeyPTXJWDIAIBRGMF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds10

About 2-methoxy-2-methyl-N-propylnon-8-en-4-amine

2-methoxy-2-methyl-N-propylnon-8-en-4-amine (PubChem CID 103027274) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propylnon-8-en-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propylnon-8-en-4-amine
PubChem CID103027274
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methoxy-2-methyl-N-propylnon-8-en-4-amine
SMILESC=CCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C14H29NO/c1-6-8-9-10-13(15-11-7-2)12-14(3,4)16-5/h6,13,15H,1,7-12H2,2-5H3
InChIKeyPTXJWDIAIBRGMF-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-methyl-N-propylnon-8-en-4-amine 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-1-methoxyoct-7-en-3-amine
CID 64297217
1-methoxy-N-propyloct-7-en-3-amine
CID 64297219
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
N-ethyl-1-methoxynon-8-en-4-amine
CID 65092220
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330142
N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79196993
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465
2-methoxy-N,2-dimethyloct-7-en-3-amine
CID 79197553
2-methoxy-2-methyl-5-methylidene-N-propylheptan-3-amine
CID 79198171
N-ethyl-2-methoxy-2-methyloct-7-en-3-amine
CID 79198266
1-(2-methyloxan-2-yl)-N-propylhex-5-en-1-amine
CID 80684331

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-propylnon-8-en-4-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propylnon-8-en-4-amine (CID 103027274) is 2-methoxy-2-methyl-N-propylnon-8-en-4-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propylnon-8-en-4-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propylnon-8-en-4-amine is C=CCCCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 2-methoxy-2-methyl-N-propylnon-8-en-4-amine?
The InChIKey is PTXJWDIAIBRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-8-9-10-13(15-11-7-2)12-14(3,4)16-5/h6,13,15H,1,7-12H2,2-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propylnon-8-en-4-amine?
2-methoxy-2-methyl-N-propylnon-8-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propylnon-8-en-4-amine is sourced from PubChem (CID 103027274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).