N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine

C13H28N2 — CID 62623158

IUPACN,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
SMILESCNC(CCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-13(2,3)12(14-4)8-11-15-9-6-5-7-10-15/h12,14H,5-11H2,1-4H3
InChIKeyQIZRMKZBDMOXFX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds4

About N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine

N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine (PubChem CID 62623158) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
PubChem CID62623158
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
SMILESCNC(CCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-13(2,3)12(14-4)8-11-15-9-6-5-7-10-15/h12,14H,5-11H2,1-4H3
InChIKeyQIZRMKZBDMOXFX-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine?
The IUPAC name of N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine (CID 62623158) is N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine.
What is the SMILES notation for N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine?
The canonical SMILES for N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine is CNC(CCN1CCCCC1)C(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine?
The InChIKey is QIZRMKZBDMOXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)12(14-4)8-11-15-9-6-5-7-10-15/h12,14H,5-11H2,1-4H3.
What are the key properties of N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine?
N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine is sourced from PubChem (CID 62623158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).