3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine

C16H33N3 — CID 66453018

IUPAC3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
SMILESCC(N)C(C)(C)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(17)16(2,3)13-19-10-6-15(7-11-19)12-18-8-4-5-9-18/h14-15H,4-13,17H2,1-3H3
InChIKeyFHGXBEYGCRJTQI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds5

About 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine

3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine (PubChem CID 66453018) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
PubChem CID66453018
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
SMILESCC(N)C(C)(C)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(17)16(2,3)13-19-10-6-15(7-11-19)12-18-8-4-5-9-18/h14-15H,4-13,17H2,1-3H3
InChIKeyFHGXBEYGCRJTQI-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine 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 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine (CID 66453018) is 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine is CC(N)C(C)(C)CN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The InChIKey is FHGXBEYGCRJTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(17)16(2,3)13-19-10-6-15(7-11-19)12-18-8-4-5-9-18/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine is sourced from PubChem (CID 66453018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).