N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine

C15H29NO — CID 123179565

IUPACN-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine
SMILESC=CCCCN(C)CCOC(CC)CC=CC
InChIInChI=1S/C15H29NO/c1-5-8-10-12-16(4)13-14-17-15(7-3)11-9-6-2/h5-6,9,15H,1,7-8,10-14H2,2-4H3
InChIKeyJMBROAXPBXQTLB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds11

About N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine

N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine (PubChem CID 123179565) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound NameN-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine
PubChem CID123179565
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine
SMILESC=CCCCN(C)CCOC(CC)CC=CC
InChIInChI=1S/C15H29NO/c1-5-8-10-12-16(4)13-14-17-15(7-3)11-9-6-2/h5-6,9,15H,1,7-8,10-14H2,2-4H3
InChIKeyJMBROAXPBXQTLB-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
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'}

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Related Compounds

N-methyl-N-propylpent-4-en-1-amine
CID 91551262
2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine
CID 106115011
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
CID 171629250
2-[methyl-[(4Z)-octa-4,7-dienyl]amino]ethyl prop-2-enoate
CID 87095553
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
7-methoxynon-1-ene
CID 91435315
N-methyl-N-pent-4-enylpropanamide
CID 115640317
4-propoxyhex-1-enyl hypofluorite
CID 173387860
N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142953317
N,N-dimethyloct-7-en-3-amine
CID 142842178

Frequently Asked Questions

What is the IUPAC name of N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine?
The IUPAC name of N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine (CID 123179565) is N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine is C=CCCCN(C)CCOC(CC)CC=CC.
What is the InChIKey of N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine?
The InChIKey is JMBROAXPBXQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-8-10-12-16(4)13-14-17-15(7-3)11-9-6-2/h5-6,9,15H,1,7-8,10-14H2,2-4H3.
What are the key properties of N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine?
N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hept-5-en-3-yloxyethyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 123179565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).