(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine

C17H30N2 — CID 142907377

IUPAC(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
SMILESCCCCC(/C=N/C1C=CCCC1)=C\NC(C)(C)C
InChIInChI=1S/C17H30N2/c1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h8,11,13-14,16,19H,5-7,9-10,12H2,1-4H3/b15-14+,18-13+
InChIKeySRTJTXXPQIZDKO-FHFAONFCSA-N
MW262.44 g/mol
LogP4.63
Rot. Bonds6

About (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine

(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine (PubChem CID 142907377) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
PubChem CID142907377
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
SMILESCCCCC(/C=N/C1C=CCCC1)=C\NC(C)(C)C
InChIInChI=1S/C17H30N2/c1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h8,11,13-14,16,19H,5-7,9-10,12H2,1-4H3/b15-14+,18-13+
InChIKeySRTJTXXPQIZDKO-FHFAONFCSA-N
XLogP4.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-2-(cyclohexyliminomethyl)hex-1-en-1-amine
CID 10244583
N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
CID 123977542
(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
CID 142202383
N-[(1Z)-buta-1,3-dienyl]-1-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridin-4-yl]methanimine
CID 145498108
(Z)-2-(2-methyl-1,2-dihydropyridin-3-yl)pent-2-en-1-imine
CID 145691680
(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane
CID 153390167
(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine
CID 163540229
(Z)-4-(ethenyliminomethyl)-N-methylhex-4-en-2-amine
CID 169693071
(2E,4E)-3-ethenyl-N-[1-(2-ethyl-1,2-dihydropyridin-3-yl)ethyl]-2-methanimidoyl-N-methylhepta-2,4-dien-1-amine
CID 173710371
(3E,5Z)-N-but-3-en-2-yl-3-ethenyl-2-(2-methyl-3-methyliminoprop-1-enyl)hepta-1,3,5-trien-1-amine
CID 173752795
3-Methyl-2-[[5-[(pentylamino)methyl]cyclohexa-2,4-dien-1-yl]iminomethyl]buta-1,3-dien-1-amine
CID 173764803
N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine
CID 10333808

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine (CID 142907377) is (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine is CCCCC(/C=N/C1C=CCCC1)=C\NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine?
The InChIKey is SRTJTXXPQIZDKO-FHFAONFCSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-6-10-15(14-19-17(2,3)4)13-18-16-11-8-7-9-12-16/h8,11,13-14,16,19H,5-7,9-10,12H2,1-4H3/b15-14+,18-13+.
What are the key properties of (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine?
(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine is sourced from PubChem (CID 142907377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).