(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine

C12H22N4 — CID 168896935

IUPAC(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
SMILESN/C=C(N)\C=N\C1CCN(CC2CC2)CC1
InChIInChI=1S/C12H22N4/c13-7-11(14)8-15-12-3-5-16(6-4-12)9-10-1-2-10/h7-8,10,12H,1-6,9,13-14H2/b11-7+,15-8+
InChIKeyFFDDZDNMGVSBMA-YQQAFNMCSA-N
MW222.34 g/mol
LogP0.69
Rot. Bonds4

About (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine

(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine (PubChem CID 168896935) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
PubChem CID168896935
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
SMILESN/C=C(N)\C=N\C1CCN(CC2CC2)CC1
InChIInChI=1S/C12H22N4/c13-7-11(14)8-15-12-3-5-16(6-4-12)9-10-1-2-10/h7-8,10,12H,1-6,9,13-14H2/b11-7+,15-8+
InChIKeyFFDDZDNMGVSBMA-YQQAFNMCSA-N
XLogP0.69
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 139420880
(E)-3-(1-cyclopropylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 145613148
3-(1-Methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 148281286
[(E)-2-amino-3-iminoprop-1-enyl]-(1-methylpiperidin-4-yl)azanium
CID 153566877
methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 166160047
3-[1-(1-Methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 173820408
2-Piperidin-1-yl-3-piperidin-4-yliminoprop-1-en-1-amine
CID 173999837
3-[1-(Cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 174067075
(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 117917281
(E)-3-(1-methylpiperidin-4-yl)imino-2-N-prop-1-en-2-ylprop-1-ene-1,2-diamine
CID 177362676

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine (CID 168896935) is (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine is N/C=C(N)\C=N\C1CCN(CC2CC2)CC1.
What is the InChIKey of (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
The InChIKey is FFDDZDNMGVSBMA-YQQAFNMCSA-N. The full InChI is InChI=1S/C12H22N4/c13-7-11(14)8-15-12-3-5-16(6-4-12)9-10-1-2-10/h7-8,10,12H,1-6,9,13-14H2/b11-7+,15-8+.
What are the key properties of (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine?
(E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(cyclopropylmethyl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 168896935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).