tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine

C21H42N2O2 — CID 142299348

IUPACtert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine
SMILESC/C=C\C(=C/CC)CNCC(C)(CCCC)NC.CC(C)(C)OC=O
InChIInChI=1S/C16H32N2.C5H10O2/c1-6-9-12-16(4,17-5)14-18-13-15(10-7-2)11-8-3;1-5(2,3)7-4-6/h7,10-11,17-18H,6,8-9,12-14H2,1-5H3;4H,1-3H3/b10-7-,15-11+;
InChIKeyOQVZPAQBPYGJHN-HCIYJSQZSA-N
MW354.58 g/mol
LogP4.61
Rot. Bonds11

About tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine

tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine (PubChem CID 142299348) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine.

Molecular Properties

Compound Nametert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine
PubChem CID142299348
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Nametert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine
SMILESC/C=C\C(=C/CC)CNCC(C)(CCCC)NC.CC(C)(C)OC=O
InChIInChI=1S/C16H32N2.C5H10O2/c1-6-9-12-16(4,17-5)14-18-13-15(10-7-2)11-8-3;1-5(2,3)7-4-6/h7,10-11,17-18H,6,8-9,12-14H2,1-5H3;4H,1-3H3/b10-7-,15-11+;
InChIKeyOQVZPAQBPYGJHN-HCIYJSQZSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine with MolForge

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Related Compounds

tert-butyl formate;ethane;N-methylpentan-1-amine
CID 142042302
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
1-N-(1-methoxyethyl)-2-N,2-dimethylhexane-1,2-diamine
CID 123528580
tert-butyl formate;hexylcyclopropane
CID 174391270
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
ethyl 3-methyl-3-(methylamino)octanoate
CID 80558531
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
CID 134570205
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
3-methyl-3-(methylamino)octanoic acid
CID 80558530
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;ethyl (3Z)-3-(1-fluoroethenyl)-2-(methylamino)hexa-3,5-dienoate
CID 144693368

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine?
The IUPAC name of tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine (CID 142299348) is tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine.
What is the SMILES notation for tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine?
The canonical SMILES for tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine is C/C=C\C(=C/CC)CNCC(C)(CCCC)NC.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine?
The InChIKey is OQVZPAQBPYGJHN-HCIYJSQZSA-N. The full InChI is InChI=1S/C16H32N2.C5H10O2/c1-6-9-12-16(4,17-5)14-18-13-15(10-7-2)11-8-3;1-5(2,3)7-4-6/h7,10-11,17-18H,6,8-9,12-14H2,1-5H3;4H,1-3H3/b10-7-,15-11+;.
What are the key properties of tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine?
tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine has a molecular weight of 354.58 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine is sourced from PubChem (CID 142299348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).