(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine

C11H23NO — CID 163896289

IUPAC(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine
SMILESCNCCC(C)/C=C\C(C)(C)OC
InChIInChI=1S/C11H23NO/c1-10(7-9-12-4)6-8-11(2,3)13-5/h6,8,10,12H,7,9H2,1-5H3/b8-6-
InChIKeyQFXKIOOAYCPHAZ-VURMDHGXSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds6

About (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine

(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine (PubChem CID 163896289) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine
PubChem CID163896289
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine
SMILESCNCCC(C)/C=C\C(C)(C)OC
InChIInChI=1S/C11H23NO/c1-10(7-9-12-4)6-8-11(2,3)13-5/h6,8,10,12H,7,9H2,1-5H3/b8-6-
InChIKeyQFXKIOOAYCPHAZ-VURMDHGXSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
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

2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 70304399
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine
CID 118333610
3-[(E)-3-methoxyprop-1-enyl]pyrrolidine
CID 118335850
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
but-1-ene;ethane;1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 141949628
(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine
CID 142872854
(3Z)-2-methoxyhexa-1,3-diene;3-[(E)-prop-1-enyl]pyrrolidine
CID 142933399
(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine
CID 143115327
(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 143608911
(3Z)-3-ethenyl-5-methoxy-N-methylhexa-3,5-dien-1-amine
CID 144434272

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine?
The IUPAC name of (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine (CID 163896289) is (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine.
What is the SMILES notation for (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine?
The canonical SMILES for (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine is CNCCC(C)/C=C\C(C)(C)OC.
What is the InChIKey of (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine?
The InChIKey is QFXKIOOAYCPHAZ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(7-9-12-4)6-8-11(2,3)13-5/h6,8,10,12H,7,9H2,1-5H3/b8-6-.
What are the key properties of (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine?
(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine is sourced from PubChem (CID 163896289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).