N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine

C16H31NO — CID 174110162

IUPACN-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNC(C)COCC
InChIInChI=1S/C16H31NO/c1-6-10-16(11-7-2,12-8-3)14-17-15(5)13-18-9-4/h6-7,15,17H,1-2,8-14H2,3-5H3
InChIKeyGFTDJBATXZISGV-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.94
Rot. Bonds12

About N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine

N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine (PubChem CID 174110162) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
PubChem CID174110162
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNC(C)COCC
InChIInChI=1S/C16H31NO/c1-6-10-16(11-7-2,12-8-3)14-17-15(5)13-18-9-4/h6-7,15,17H,1-2,8-14H2,3-5H3
InChIKeyGFTDJBATXZISGV-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-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

4,4-bis(propoxymethyl)hept-1-ene
CID 176894820
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
CID 115890248
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
1-ethoxy-2-methylpent-4-en-2-ol
CID 71384768
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062756
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide
CID 157247287

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine (CID 174110162) is N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine is C=CCC(CC=C)(CCC)CNC(C)COCC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine?
The InChIKey is GFTDJBATXZISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-10-16(11-7-2,12-8-3)14-17-15(5)13-18-9-4/h6-7,15,17H,1-2,8-14H2,3-5H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine?
N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine is sourced from PubChem (CID 174110162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).