1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine

C8H17NO — CID 138727203

IUPAC1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine
SMILESC/C=C\C(CC)OCNC
InChIInChI=1S/C8H17NO/c1-4-6-8(5-2)10-7-9-3/h4,6,8-9H,5,7H2,1-3H3/b6-4-
InChIKeyMOFTUEAARRGHRG-XQRVVYSFSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds5

About 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine

1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine (PubChem CID 138727203) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine.

Molecular Properties

Compound Name1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine
PubChem CID138727203
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine
SMILESC/C=C\C(CC)OCNC
InChIInChI=1S/C8H17NO/c1-4-6-8(5-2)10-7-9-3/h4,6,8-9H,5,7H2,1-3H3/b6-4-
InChIKeyMOFTUEAARRGHRG-XQRVVYSFSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(pent-2-enoxymethyl)ethanamine
CID 122608179
N-methyl-1-pent-2-enoxymethanamine
CID 122695119
(Z,4R)-N-ethyl-4-methoxyhex-2-en-1-amine
CID 145602396
N-methyl-1-[(Z)-oct-2-enoxy]methanamine
CID 163705593
N-methyl-1-[(Z)-2-methylhex-3-en-2-yl]oxymethanamine
CID 170092422
O-[(E,3R)-hept-4-en-3-yl] N-methylcarbamothioate
CID 100979351
O-[(E,3S)-hept-4-en-3-yl] N-methylcarbamothioate
CID 100979352
N-methyl-1-[(2E)-2-methylocta-2,4,7-trienoxy]methanamine
CID 142861701

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine?
The IUPAC name of 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine (CID 138727203) is 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine.
What is the SMILES notation for 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine?
The canonical SMILES for 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine is C/C=C\C(CC)OCNC.
What is the InChIKey of 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine?
The InChIKey is MOFTUEAARRGHRG-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-8(5-2)10-7-9-3/h4,6,8-9H,5,7H2,1-3H3/b6-4-.
What are the key properties of 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine?
1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-en-3-yl]oxy-N-methylmethanamine is sourced from PubChem (CID 138727203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).