(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine

C13H27N5O — CID 145317201

IUPAC(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine
SMILESNC/C(N)=C/N(N)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C13H27N5O/c14-9-11(15)10-18(16)13-1-5-17(6-2-13)12-3-7-19-8-4-12/h10,12-13H,1-9,14-16H2/b11-10-
InChIKeyJDNBXIHYROEYKQ-KHPPLWFESA-N
MW269.39 g/mol
LogP-0.44
Rot. Bonds4

About (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine

(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine (PubChem CID 145317201) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine
PubChem CID145317201
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine
SMILESNC/C(N)=C/N(N)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C13H27N5O/c14-9-11(15)10-18(16)13-1-5-17(6-2-13)12-3-7-19-8-4-12/h10,12-13H,1-9,14-16H2/b11-10-
InChIKeyJDNBXIHYROEYKQ-KHPPLWFESA-N
XLogP-0.44
TPSA93.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine?
The IUPAC name of (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine (CID 145317201) is (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine is NC/C(N)=C/N(N)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine?
The InChIKey is JDNBXIHYROEYKQ-KHPPLWFESA-N. The full InChI is InChI=1S/C13H27N5O/c14-9-11(15)10-18(16)13-1-5-17(6-2-13)12-3-7-19-8-4-12/h10,12-13H,1-9,14-16H2/b11-10-.
What are the key properties of (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine?
(Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[amino-[1-(oxan-4-yl)piperidin-4-yl]amino]prop-2-ene-1,2-diamine is sourced from PubChem (CID 145317201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).