(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine

C11H23N3O — CID 130179835

IUPAC(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
SMILESCN/C=C\C(N)C(C)N1CCOC[C@@H]1C
InChIInChI=1S/C11H23N3O/c1-9-8-15-7-6-14(9)10(2)11(12)4-5-13-3/h4-5,9-11,13H,6-8,12H2,1-3H3/b5-4-/t9-,10?,11?/m0/s1
InChIKeyIUNLFHLBHRCLHW-POQWCBKCSA-N
MW213.32 g/mol
LogP0.16
Rot. Bonds4

About (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine

(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine (PubChem CID 130179835) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
PubChem CID130179835
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
SMILESCN/C=C\C(N)C(C)N1CCOC[C@@H]1C
InChIInChI=1S/C11H23N3O/c1-9-8-15-7-6-14(9)10(2)11(12)4-5-13-3/h4-5,9-11,13H,6-8,12H2,1-3H3/b5-4-/t9-,10?,11?/m0/s1
InChIKeyIUNLFHLBHRCLHW-POQWCBKCSA-N
XLogP0.16
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine (CID 130179835) is (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine is CN/C=C\C(N)C(C)N1CCOC[C@@H]1C.
What is the InChIKey of (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine?
The InChIKey is IUNLFHLBHRCLHW-POQWCBKCSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-8-15-7-6-14(9)10(2)11(12)4-5-13-3/h4-5,9-11,13H,6-8,12H2,1-3H3/b5-4-/t9-,10?,11?/m0/s1.
What are the key properties of (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine?
(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine has a molecular weight of 213.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine is sourced from PubChem (CID 130179835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).