N-(2-but-3-enoxyethyl)hept-6-en-1-amine

C13H25NO — CID 106401455

IUPACN-(2-but-3-enoxyethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCCOCCC=C
InChIInChI=1S/C13H25NO/c1-3-5-7-8-9-10-14-11-13-15-12-6-4-2/h3-4,14H,1-2,5-13H2
InChIKeyTUCRKCQXCQXIMI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.92
Rot. Bonds12

About N-(2-but-3-enoxyethyl)hept-6-en-1-amine

N-(2-but-3-enoxyethyl)hept-6-en-1-amine (PubChem CID 106401455) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)hept-6-en-1-amine
PubChem CID106401455
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-but-3-enoxyethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCCOCCC=C
InChIInChI=1S/C13H25NO/c1-3-5-7-8-9-10-14-11-13-15-12-6-4-2/h3-4,14H,1-2,5-13H2
InChIKeyTUCRKCQXCQXIMI-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.92
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'}

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Related Compounds

N-(2-methoxyethyl)dec-9-en-1-amine
CID 107010461
5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753
N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
N'-hept-6-enylethane-1,2-diamine
CID 107006766
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
12-dodec-11-enoxydodec-1-ene
CID 87325659
N-propylnon-8-en-1-amine
CID 107010151

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)hept-6-en-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)hept-6-en-1-amine (CID 106401455) is N-(2-but-3-enoxyethyl)hept-6-en-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)hept-6-en-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)hept-6-en-1-amine is C=CCCCCCNCCOCCC=C.
What is the InChIKey of N-(2-but-3-enoxyethyl)hept-6-en-1-amine?
The InChIKey is TUCRKCQXCQXIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-7-8-9-10-14-11-13-15-12-6-4-2/h3-4,14H,1-2,5-13H2.
What are the key properties of N-(2-but-3-enoxyethyl)hept-6-en-1-amine?
N-(2-but-3-enoxyethyl)hept-6-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.92, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)hept-6-en-1-amine is sourced from PubChem (CID 106401455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).