3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine

C14H30N2 — CID 114593805

IUPAC3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CC(C)CC(C)C1C
InChIInChI=1S/C14H30N2/c1-6-14(15,7-2)10-16-9-11(3)8-12(4)13(16)5/h11-13H,6-10,15H2,1-5H3
InChIKeyKNDASDSWCJJLFB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds4

About 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine

3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine (PubChem CID 114593805) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
PubChem CID114593805
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CC(C)CC(C)C1C
InChIInChI=1S/C14H30N2/c1-6-14(15,7-2)10-16-9-11(3)8-12(4)13(16)5/h11-13H,6-10,15H2,1-5H3
InChIKeyKNDASDSWCJJLFB-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
CID 52416411
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
1-(Piperidin-1-ylmethyl)cyclohexanamine
CID 6484226
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 24693214
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700
2-(3-Methyl-1-piperidinyl)ethanamine
CID 3149268
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)ethanamine
CID 4005925

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine (CID 114593805) is 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine is CCC(N)(CC)CN1CC(C)CC(C)C1C.
What is the InChIKey of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine?
The InChIKey is KNDASDSWCJJLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(15,7-2)10-16-9-11(3)8-12(4)13(16)5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine?
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 114593805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).