(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine

C10H22N2 — CID 167147097

IUPAC(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine
SMILESCCCN(C)/C(=C\N)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-6-7-12(5)9(8-11)10(2,3)4/h8H,6-7,11H2,1-5H3/b9-8-
InChIKeyWQHRCXKCVNKWNM-HJWRWDBZSA-N
MW170.30 g/mol
LogP2.17
Rot. Bonds3

About (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine

(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine (PubChem CID 167147097) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine
PubChem CID167147097
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine
SMILESCCCN(C)/C(=C\N)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-6-7-12(5)9(8-11)10(2,3)4/h8H,6-7,11H2,1-5H3/b9-8-
InChIKeyWQHRCXKCVNKWNM-HJWRWDBZSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine (CID 167147097) is (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine is CCCN(C)/C(=C\N)C(C)(C)C.
What is the InChIKey of (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine?
The InChIKey is WQHRCXKCVNKWNM-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-7-12(5)9(8-11)10(2,3)4/h8H,6-7,11H2,1-5H3/b9-8-.
What are the key properties of (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine?
(Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N,3,3-trimethyl-2-N-propylbut-1-ene-1,2-diamine is sourced from PubChem (CID 167147097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).