(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine

C10H20N2O2 — CID 164857869

IUPAC(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NCC1OCC(C)(C)CO1
InChIInChI=1S/C10H20N2O2/c1-8(11)4-12-5-9-13-6-10(2,3)7-14-9/h4,9,12H,5-7,11H2,1-3H3/b8-4-
InChIKeyQOHRGHWRZIAQKM-YWEYNIOJSA-N
MW200.28 g/mol
LogP0.80
Rot. Bonds3

About (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine

(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine (PubChem CID 164857869) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine
PubChem CID164857869
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NCC1OCC(C)(C)CO1
InChIInChI=1S/C10H20N2O2/c1-8(11)4-12-5-9-13-6-10(2,3)7-14-9/h4,9,12H,5-7,11H2,1-3H3/b8-4-
InChIKeyQOHRGHWRZIAQKM-YWEYNIOJSA-N
XLogP0.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine (CID 164857869) is (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine is C/C(N)=C/NCC1OCC(C)(C)CO1.
What is the InChIKey of (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine?
The InChIKey is QOHRGHWRZIAQKM-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(11)4-12-5-9-13-6-10(2,3)7-14-9/h4,9,12H,5-7,11H2,1-3H3/b8-4-.
What are the key properties of (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine?
(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine has a molecular weight of 200.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]prop-1-ene-1,2-diamine is sourced from PubChem (CID 164857869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).