N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine

C17H33NO — CID 167218491

IUPACN-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine
SMILESC=C(CC)COC(=C)NCC(CCC)CCCCC
InChIInChI=1S/C17H33NO/c1-6-9-10-12-17(11-7-2)13-18-16(5)19-14-15(4)8-3/h17-18H,4-14H2,1-3H3
InChIKeyTXKFMDSWPMSCCN-UHFFFAOYSA-N
MW267.46 g/mol
LogP5.03
Rot. Bonds13

About N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine

N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine (PubChem CID 167218491) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine
PubChem CID167218491
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine
SMILESC=C(CC)COC(=C)NCC(CCC)CCCCC
InChIInChI=1S/C17H33NO/c1-6-9-10-12-17(11-7-2)13-18-16(5)19-14-15(4)8-3/h17-18H,4-14H2,1-3H3
InChIKeyTXKFMDSWPMSCCN-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-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

3-methylidene-6-propyldodecane
CID 155645472
2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine
CID 144942152
N-(3-methylbuta-1,3-dien-2-yl)-2-propylpentan-1-amine
CID 166712387
N-ethyl-2-propylnonan-1-amine
CID 63498677
N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine?
The IUPAC name of N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine (CID 167218491) is N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine.
What is the SMILES notation for N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine?
The canonical SMILES for N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine is C=C(CC)COC(=C)NCC(CCC)CCCCC.
What is the InChIKey of N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine?
The InChIKey is TXKFMDSWPMSCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-9-10-12-17(11-7-2)13-18-16(5)19-14-15(4)8-3/h17-18H,4-14H2,1-3H3.
What are the key properties of N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine?
N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 5.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylidenebutoxy)ethenyl]-2-propylheptan-1-amine is sourced from PubChem (CID 167218491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).