N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine

C17H32N2 — CID 12065549

IUPACN-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
SMILESCCCC/C(=C\C=N\C(C)(C)C)NC1CCCCC1
InChIInChI=1S/C17H32N2/c1-5-6-10-16(13-14-18-17(2,3)4)19-15-11-8-7-9-12-15/h13-15,19H,5-12H2,1-4H3/b16-13+,18-14+
InChIKeyONMVLAZXIPPHMX-KSQUNMIPSA-N
MW264.46 g/mol
LogP4.85
Rot. Bonds6

About N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine

N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine (PubChem CID 12065549) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
PubChem CID12065549
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
SMILESCCCC/C(=C\C=N\C(C)(C)C)NC1CCCCC1
InChIInChI=1S/C17H32N2/c1-5-6-10-16(13-14-18-17(2,3)4)19-15-11-8-7-9-12-15/h13-15,19H,5-12H2,1-4H3/b16-13+,18-14+
InChIKeyONMVLAZXIPPHMX-KSQUNMIPSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.85
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

4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 44581277
N-[(Z)-4-cyclohexyliminopent-2-en-2-yl]cyclohexanamine
CID 23578229
(3E)-5,5-difluoro-4-methylhepta-1,3-diene;(2E)-N-methyl-4,5-dimethylidene-1-methyliminoocta-2,7-dien-3-amine;N-propan-2-ylcyclohexanamine
CID 144055247
N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine
CID 135002744
N-[2-(cyclohexen-1-ylimino)ethyl]cyclohexanamine
CID 54273635
N-[4-(cyclohexen-1-ylimino)hexan-3-yl]cyclohexanamine
CID 54328538
N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine
CID 91369631
2-(cyclohexen-1-ylimino)-N-ethylethanamine
CID 123650187
N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]prop-1-en-2-amine
CID 129016785
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
CID 138549377
(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene
CID 142806830
(E,6E)-6-(2-aminopropan-2-ylimino)-4-N-cyclohexylhex-4-ene-1,4-diamine
CID 142907376

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine?
The IUPAC name of N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine (CID 12065549) is N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine.
What is the SMILES notation for N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine?
The canonical SMILES for N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine is CCCC/C(=C\C=N\C(C)(C)C)NC1CCCCC1.
What is the InChIKey of N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine?
The InChIKey is ONMVLAZXIPPHMX-KSQUNMIPSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-6-10-16(13-14-18-17(2,3)4)19-15-11-8-7-9-12-15/h13-15,19H,5-12H2,1-4H3/b16-13+,18-14+.
What are the key properties of N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine?
N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine has a molecular weight of 264.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine is sourced from PubChem (CID 12065549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).