(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'}

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Related Compounds

(Z)-2-[amino(oxan-4-yl)amino]-1-cyclopropylethenamine
CID 145289889
2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine
CID 83618622
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
1-(oxan-4-yl)piperidine-4-carbaldehyde
CID 63937324
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
4-(oxan-4-yl)piperazine-1-carboximidamide
CID 121201865
N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen
CID 176945985
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
4-(oxepan-4-yl)morpholine
CID 131201603

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).