4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine

C9H21N3 — CID 6484201

IUPAC4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine
SMILESCN1CCC(CN)(N(C)C)CC1
InChIInChI=1S/C9H21N3/c1-11(2)9(8-10)4-6-12(3)7-5-9/h4-8,10H2,1-3H3
InChIKeyYLOZCKVJAIJJEJ-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds2

About 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine

4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine (PubChem CID 6484201) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine
PubChem CID6484201
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine
SMILESCN1CCC(CN)(N(C)C)CC1
InChIInChI=1S/C9H21N3/c1-11(2)9(8-10)4-6-12(3)7-5-9/h4-8,10H2,1-3H3
InChIKeyYLOZCKVJAIJJEJ-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine (CID 6484201) is 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine is CN1CCC(CN)(N(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine?
The InChIKey is YLOZCKVJAIJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-11(2)9(8-10)4-6-12(3)7-5-9/h4-8,10H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine?
4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 6484201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).