(Z)-4-(methoxymethyl)hept-4-en-1-amine

C9H19NO — CID 103392129

IUPAC(Z)-4-(methoxymethyl)hept-4-en-1-amine
SMILESCC/C=C(/CCCN)COC
InChIInChI=1S/C9H19NO/c1-3-5-9(8-11-2)6-4-7-10/h5H,3-4,6-8,10H2,1-2H3/b9-5-
InChIKeyCKDRJOPGAVBCNS-UITAMQMPSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds6

About (Z)-4-(methoxymethyl)hept-4-en-1-amine

(Z)-4-(methoxymethyl)hept-4-en-1-amine (PubChem CID 103392129) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-4-(methoxymethyl)hept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(methoxymethyl)hept-4-en-1-amine
PubChem CID103392129
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-4-(methoxymethyl)hept-4-en-1-amine
SMILESCC/C=C(/CCCN)COC
InChIInChI=1S/C9H19NO/c1-3-5-9(8-11-2)6-4-7-10/h5H,3-4,6-8,10H2,1-2H3/b9-5-
InChIKeyCKDRJOPGAVBCNS-UITAMQMPSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
3-(3,7-Dimethylocta-2,6-dienoxy)propan-1-amine
CID 154376410
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738
(E)-4-(methoxymethyl)hex-3-en-1-amine
CID 64395994
2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine
CID 71757141
4-(Methoxymethyl)hex-3-en-1-amine
CID 77037489
3-(Propoxymethyl)cyclopent-2-en-1-amine
CID 79569410
4-Cyclopropyl-5-methoxypent-3-en-1-amine
CID 80410631

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(methoxymethyl)hept-4-en-1-amine?
The IUPAC name of (Z)-4-(methoxymethyl)hept-4-en-1-amine (CID 103392129) is (Z)-4-(methoxymethyl)hept-4-en-1-amine.
What is the SMILES notation for (Z)-4-(methoxymethyl)hept-4-en-1-amine?
The canonical SMILES for (Z)-4-(methoxymethyl)hept-4-en-1-amine is CC/C=C(/CCCN)COC.
What is the InChIKey of (Z)-4-(methoxymethyl)hept-4-en-1-amine?
The InChIKey is CKDRJOPGAVBCNS-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-9(8-11-2)6-4-7-10/h5H,3-4,6-8,10H2,1-2H3/b9-5-.
What are the key properties of (Z)-4-(methoxymethyl)hept-4-en-1-amine?
(Z)-4-(methoxymethyl)hept-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methoxymethyl)hept-4-en-1-amine is sourced from PubChem (CID 103392129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).