N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine

C15H26N2 — CID 144541876

IUPACN-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine
SMILES[H]/N=C(C)/C(=C/C(C)C)/N=C/C(=C)CC(C)(C)C
InChIInChI=1S/C15H26N2/c1-11(2)8-14(13(4)16)17-10-12(3)9-15(5,6)7/h8,10-11,16H,3,9H2,1-2,4-7H3/b14-8-,16-13+,17-10+
InChIKeyRGPFKMLDGYIJFD-YAOLCYBESA-N
MW234.39 g/mol
LogP4.63
Rot. Bonds5

About N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine

N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine (PubChem CID 144541876) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine.

Molecular Properties

Compound NameN-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine
PubChem CID144541876
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine
SMILES[H]/N=C(C)/C(=C/C(C)C)/N=C/C(=C)CC(C)(C)C
InChIInChI=1S/C15H26N2/c1-11(2)8-14(13(4)16)17-10-12(3)9-15(5,6)7/h8,10-11,16H,3,9H2,1-2,4-7H3/b14-8-,16-13+,17-10+
InChIKeyRGPFKMLDGYIJFD-YAOLCYBESA-N
XLogP4.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine with MolForge

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Related Compounds

3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
CID 90786085
2,4,6-Trimethyl-4-(3-methylbutyl)azepine
CID 91154019
(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine
CID 122542364
(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine
CID 123176039
(2Z)-N-[(Z)-4-cyclopropyl-4-iminobut-2-en-2-yl]-2-propan-2-ylpenta-2,4-dien-1-imine
CID 123522463
4-methyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]pentan-1-imine
CID 126658967
(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine
CID 129090816
(Z)-1-[[(Z)-2,2-dimethylhex-4-en-3-ylidene]amino]-3,3-dimethylbut-1-en-2-amine
CID 134415140
(Z)-2-[[(Z)-2-tert-butylbut-2-enylidene]amino]-3,3-dimethylbut-1-en-1-amine
CID 137392467
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
CID 142610613
8-Methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine
CID 142875295
(Z)-4,5,5-trimethyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 144060446

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine?
The IUPAC name of N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine (CID 144541876) is N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine.
What is the SMILES notation for N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine?
The canonical SMILES for N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine is [H]/N=C(C)/C(=C/C(C)C)/N=C/C(=C)CC(C)(C)C.
What is the InChIKey of N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine?
The InChIKey is RGPFKMLDGYIJFD-YAOLCYBESA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)8-14(13(4)16)17-10-12(3)9-15(5,6)7/h8,10-11,16H,3,9H2,1-2,4-7H3/b14-8-,16-13+,17-10+.
What are the key properties of N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine?
N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine has a molecular weight of 234.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine is sourced from PubChem (CID 144541876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).