(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine

C17H30N2O2 — CID 129296016

IUPAC(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine
SMILESC/C=C\C1=C(/C=C/CC(CNCCCC)NC)OCCO1
InChIInChI=1S/C17H30N2O2/c1-4-6-11-19-14-15(18-3)9-7-10-17-16(8-5-2)20-12-13-21-17/h5,7-8,10,15,18-19H,4,6,9,11-14H2,1-3H3/b8-5-,10-7+
InChIKeyXCKSBIAPZFMWNP-OEPUHGBTSA-N
MW294.44 g/mol
LogP2.74
Rot. Bonds10

About (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine

(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine (PubChem CID 129296016) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine
PubChem CID129296016
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine
SMILESC/C=C\C1=C(/C=C/CC(CNCCCC)NC)OCCO1
InChIInChI=1S/C17H30N2O2/c1-4-6-11-19-14-15(18-3)9-7-10-17-16(8-5-2)20-12-13-21-17/h5,7-8,10,15,18-19H,4,6,9,11-14H2,1-3H3/b8-5-,10-7+
InChIKeyXCKSBIAPZFMWNP-OEPUHGBTSA-N
XLogP2.74
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine?
The IUPAC name of (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine (CID 129296016) is (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine is C/C=C\C1=C(/C=C/CC(CNCCCC)NC)OCCO1.
What is the InChIKey of (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine?
The InChIKey is XCKSBIAPZFMWNP-OEPUHGBTSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-6-11-19-14-15(18-3)9-7-10-17-16(8-5-2)20-12-13-21-17/h5,7-8,10,15,18-19H,4,6,9,11-14H2,1-3H3/b8-5-,10-7+.
What are the key properties of (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine?
(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine is sourced from PubChem (CID 129296016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).