N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine

C14H30N2 — CID 62439844

IUPACN-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCN(C(C)CNC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-6-14-7-9-16(10-8-14)13(4)11-15-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyBSBJLFKMUHSZMK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine

N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine (PubChem CID 62439844) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
PubChem CID62439844
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCN(C(C)CNC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-5-6-14-7-9-16(10-8-14)13(4)11-15-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyBSBJLFKMUHSZMK-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine (CID 62439844) is N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine is CCCC1CCN(C(C)CNC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is BSBJLFKMUHSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-14-7-9-16(10-8-14)13(4)11-15-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine?
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62439844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).