N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine

C17H32N2 — CID 135002744

IUPACN-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine
SMILESCCC(/C=N/C(C)(C)C)=C(\CC)NC1CCCCC1
InChIInChI=1S/C17H32N2/c1-6-14(13-18-17(3,4)5)16(7-2)19-15-11-9-8-10-12-15/h13,15,19H,6-12H2,1-5H3/b16-14-,18-13+
InChIKeyKYNAOGZTWKKFHY-XORKRYJBSA-N
MW264.46 g/mol
LogP4.85
Rot. Bonds5

About N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine

N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine (PubChem CID 135002744) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine
PubChem CID135002744
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine
SMILESCCC(/C=N/C(C)(C)C)=C(\CC)NC1CCCCC1
InChIInChI=1S/C17H32N2/c1-6-14(13-18-17(3,4)5)16(7-2)19-15-11-9-8-10-12-15/h13,15,19H,6-12H2,1-5H3/b16-14-,18-13+
InChIKeyKYNAOGZTWKKFHY-XORKRYJBSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
CID 12065549
Ethane;(5-ethyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 172259133
4-[(3-amino-2-methylbut-2-enylidene)amino]-N-propylcyclohexan-1-amine
CID 174077708
(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176519327
2,11,20,26-Tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
CID 176519328
N-[(2E)-2-(2-tert-butyliminoethylidene)hexyl]cyclohexanamine
CID 10333808
N-[(Z)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
CID 20762320
N-[(2Z,5E)-4-methylimino-5-(methyliminomethyl)-3-propan-2-ylhepta-2,5-dien-2-yl]cyclohexanamine
CID 144055125
N-[(2Z,4Z)-4-methyl-3-[N-methyl-C-[(E)-1-methyliminobut-2-en-2-yl]carbonimidoyl]hepta-2,4,6-trien-2-yl]cyclohexanamine
CID 144055509

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine?
The IUPAC name of N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine (CID 135002744) is N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine.
What is the SMILES notation for N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine?
The canonical SMILES for N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine is CCC(/C=N/C(C)(C)C)=C(\CC)NC1CCCCC1.
What is the InChIKey of N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine?
The InChIKey is KYNAOGZTWKKFHY-XORKRYJBSA-N. The full InChI is InChI=1S/C17H32N2/c1-6-14(13-18-17(3,4)5)16(7-2)19-15-11-9-8-10-12-15/h13,15,19H,6-12H2,1-5H3/b16-14-,18-13+.
What are the key properties of N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine?
N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine has a molecular weight of 264.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(tert-butyliminomethyl)hex-3-en-3-yl]cyclohexanamine is sourced from PubChem (CID 135002744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).