N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine

C14H24N2 — CID 123494969

IUPACN-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
SMILES[H]/N=C1CCCC=C/C=C\1CN(C)CCCC
InChIInChI=1S/C14H24N2/c1-3-4-11-16(2)12-13-9-7-5-6-8-10-14(13)15/h5,7,9,15H,3-4,6,8,10-12H2,1-2H3/b7-5?,13-9-,15-14+
InChIKeyOIIWTQDCNQYUBB-KHNRRIHZSA-N
MW220.36 g/mol
LogP3.40
Rot. Bonds5

About N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine

N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine (PubChem CID 123494969) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
PubChem CID123494969
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
SMILES[H]/N=C1CCCC=C/C=C\1CN(C)CCCC
InChIInChI=1S/C14H24N2/c1-3-4-11-16(2)12-13-9-7-5-6-8-10-14(13)15/h5,7,9,15H,3-4,6,8,10-12H2,1-2H3/b7-5?,13-9-,15-14+
InChIKeyOIIWTQDCNQYUBB-KHNRRIHZSA-N
XLogP3.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123881999
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxy-N-methylethanamine
CID 123358351
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
4-[(4-Methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123720024
3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
CID 123750276
(2Z)-2-(piperidin-1-ylmethyl)cycloocta-2,4-dien-1-imine
CID 124006917
(3Z,5Z)-7-imino-N,3-dimethylcycloocta-3,5-dien-1-amine
CID 156227160
2,2,5-Trimethyl-1,3,4,8-tetrahydroisoquinolin-2-ium-7-imine
CID 163419716
(5E,7Z)-5-ethyl-2-imino-N,N-dimethyldeca-5,7-dien-1-amine
CID 170211720
1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)propane-1,2-diimine;ethane;heptane;undec-1-ene
CID 172567503
(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine;heptane
CID 172567559
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine
CID 177225040

Frequently Asked Questions

What is the IUPAC name of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine (CID 123494969) is N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine is [H]/N=C1CCCC=C/C=C\1CN(C)CCCC.
What is the InChIKey of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is OIIWTQDCNQYUBB-KHNRRIHZSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-11-16(2)12-13-9-7-5-6-8-10-14(13)15/h5,7,9,15H,3-4,6,8,10-12H2,1-2H3/b7-5?,13-9-,15-14+.
What are the key properties of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine?
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 123494969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).