N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine

C17H35NO — CID 139554732

IUPACN,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine
SMILESC=C(CCCC)CCCOC(C)CCN(CC)CC
InChIInChI=1S/C17H35NO/c1-6-9-11-16(4)12-10-15-19-17(5)13-14-18(7-2)8-3/h17H,4,6-15H2,1-3,5H3
InChIKeyHGLDUMCCPCTOHE-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.65
Rot. Bonds13

About N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine

N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine (PubChem CID 139554732) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine
PubChem CID139554732
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine
SMILESC=C(CCCC)CCCOC(C)CCN(CC)CC
InChIInChI=1S/C17H35NO/c1-6-9-11-16(4)12-10-15-19-17(5)13-14-18(7-2)8-3/h17H,4,6-15H2,1-3,5H3
InChIKeyHGLDUMCCPCTOHE-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
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 N,N-diethyl-3-(4-methylideneoctoxy)butan-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

N,N-diethyl-3-methylideneheptan-1-amine
CID 134980588
3-butoxy-N-ethyl-N-propan-2-ylbutan-1-amine;ethane
CID 176984083
2-butoxyhexane;ethane
CID 144590910
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
CID 142730754
4-methyl-8-methylidenedodecane
CID 123605795
9,10-dimethyl-5-methylidenepentadecane
CID 142544689
1-octan-2-yloxydecane
CID 86220707
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-nonan-2-yloxyoctadecane
CID 88815684
1-hexan-2-yloxydecane
CID 57029724
azane;7-[ethyl(8-octoxynonyl)amino]heptan-1-ol;heptadecane;methane;molecular hydrogen;phosphane;dihydrate
CID 177193830

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine?
The IUPAC name of N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine (CID 139554732) is N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine?
The canonical SMILES for N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine is C=C(CCCC)CCCOC(C)CCN(CC)CC.
What is the InChIKey of N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine?
The InChIKey is HGLDUMCCPCTOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-9-11-16(4)12-10-15-19-17(5)13-14-18(7-2)8-3/h17H,4,6-15H2,1-3,5H3.
What are the key properties of N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine?
N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.65, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methylideneoctoxy)butan-1-amine is sourced from PubChem (CID 139554732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).