N-methoxyhept-3-en-3-amine

C8H17NO — CID 90896355

IUPACN-methoxyhept-3-en-3-amine
SMILESCCCC=C(CC)NOC
InChIInChI=1S/C8H17NO/c1-4-6-7-8(5-2)9-10-3/h7,9H,4-6H2,1-3H3
InChIKeyCJWWPFKOYURAQW-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.23
Rot. Bonds5

About N-methoxyhept-3-en-3-amine

N-methoxyhept-3-en-3-amine (PubChem CID 90896355) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methoxyhept-3-en-3-amine.

Molecular Properties

Compound NameN-methoxyhept-3-en-3-amine
PubChem CID90896355
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methoxyhept-3-en-3-amine
SMILESCCCC=C(CC)NOC
InChIInChI=1S/C8H17NO/c1-4-6-7-8(5-2)9-10-3/h7,9H,4-6H2,1-3H3
InChIKeyCJWWPFKOYURAQW-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxyhept-3-en-3-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-methoxy-2-methylhex-2-enamide
CID 159177287
methyl (E)-2-methylhex-2-enoate
CID 5364816
N-methoxy-1-phenylpent-1-en-1-amine
CID 91144897
methyl (E)-2-hydroxy-3-methylhept-3-enoate
CID 22150999
methyl (Z)-2-chlorohex-2-enoate
CID 12547214
methyl (E)-2-acetylhex-2-enoate
CID 12838651
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
methyl (Z)-2-formamidohex-2-enoate
CID 11571868
methyl N-[(E)-hex-2-en-2-yl]ethanimidate
CID 170266913
3-[2-(carboxymethyl)hex-2-enoyloxycarbonyloxycarbonyl]hept-3-enoic acid
CID 173039953
prop-2-enyl 2-ethylhex-2-enoate
CID 139948290
(Z)-2-methoxycarbonylhex-2-ene-1-sulfinic acid
CID 14116063

Frequently Asked Questions

What is the IUPAC name of N-methoxyhept-3-en-3-amine?
The IUPAC name of N-methoxyhept-3-en-3-amine (CID 90896355) is N-methoxyhept-3-en-3-amine.
What is the SMILES notation for N-methoxyhept-3-en-3-amine?
The canonical SMILES for N-methoxyhept-3-en-3-amine is CCCC=C(CC)NOC.
What is the InChIKey of N-methoxyhept-3-en-3-amine?
The InChIKey is CJWWPFKOYURAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-7-8(5-2)9-10-3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-methoxyhept-3-en-3-amine?
N-methoxyhept-3-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyhept-3-en-3-amine is sourced from PubChem (CID 90896355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).