(Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine

C12H25N3 — CID 145229884

IUPAC(Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine
SMILESCCN1CCC(N/C=C(/C)N)CC1(C)C
InChIInChI=1S/C12H25N3/c1-5-15-7-6-11(8-12(15,3)4)14-9-10(2)13/h9,11,14H,5-8,13H2,1-4H3/b10-9-
InChIKeyCKEWDPLCINHDOV-KTKRTIGZSA-N
MW211.35 g/mol
LogP1.66
Rot. Bonds3

About (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine

(Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine (PubChem CID 145229884) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine
PubChem CID145229884
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine
SMILESCCN1CCC(N/C=C(/C)N)CC1(C)C
InChIInChI=1S/C12H25N3/c1-5-15-7-6-11(8-12(15,3)4)14-9-10(2)13/h9,11,14H,5-8,13H2,1-4H3/b10-9-
InChIKeyCKEWDPLCINHDOV-KTKRTIGZSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine (CID 145229884) is (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine is CCN1CCC(N/C=C(/C)N)CC1(C)C.
What is the InChIKey of (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine?
The InChIKey is CKEWDPLCINHDOV-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-15-7-6-11(8-12(15,3)4)14-9-10(2)13/h9,11,14H,5-8,13H2,1-4H3/b10-9-.
What are the key properties of (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine?
(Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(1-ethyl-2,2-dimethylpiperidin-4-yl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 145229884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).