(Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine

C14H30N2 — CID 129291489

IUPAC(Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine
SMILESCC/C=C(/N(CC)CC)N(CC)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-8-12-13(15(9-2)10-3)16(11-4)14(5,6)7/h12H,8-11H2,1-7H3/b13-12-
InChIKeyDPAMJKHHTSRRLT-SEYXRHQNSA-N
MW226.41 g/mol
LogP3.70
Rot. Bonds6

About (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine

(Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine (PubChem CID 129291489) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine
PubChem CID129291489
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name(Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine
SMILESCC/C=C(/N(CC)CC)N(CC)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-8-12-13(15(9-2)10-3)16(11-4)14(5,6)7/h12H,8-11H2,1-7H3/b13-12-
InChIKeyDPAMJKHHTSRRLT-SEYXRHQNSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine?
The IUPAC name of (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine (CID 129291489) is (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine is CC/C=C(/N(CC)CC)N(CC)C(C)(C)C.
What is the InChIKey of (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine?
The InChIKey is DPAMJKHHTSRRLT-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-12-13(15(9-2)10-3)16(11-4)14(5,6)7/h12H,8-11H2,1-7H3/b13-12-.
What are the key properties of (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine?
(Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-tert-butyl-1-N,1-N,1-N'-triethylbut-1-ene-1,1-diamine is sourced from PubChem (CID 129291489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).