4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

C14H29N3O — CID 114466178

IUPAC4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1(CN)CCN(C)C(C)C1
InChIInChI=1S/C14H29N3O/c1-12(2)10-18-8-6-16-14(11-15)5-7-17(4)13(3)9-14/h13,16H,1,5-11,15H2,2-4H3
InChIKeyKRYBEUSAEMEGKH-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.98
Rot. Bonds7

About 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (PubChem CID 114466178) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
PubChem CID114466178
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1(CN)CCN(C)C(C)C1
InChIInChI=1S/C14H29N3O/c1-12(2)10-18-8-6-16-14(11-15)5-7-17(4)13(3)9-14/h13,16H,1,5-11,15H2,2-4H3
InChIKeyKRYBEUSAEMEGKH-UHFFFAOYSA-N
XLogP0.98
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (CID 114466178) is 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is C=C(C)COCCNC1(CN)CCN(C)C(C)C1.
What is the InChIKey of 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The InChIKey is KRYBEUSAEMEGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)10-18-8-6-16-14(11-15)5-7-17(4)13(3)9-14/h13,16H,1,5-11,15H2,2-4H3.
What are the key properties of 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine has a molecular weight of 255.41 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 114466178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).