2-(4-ethylpiperidin-1-yl)pentan-3-amine

C12H26N2 — CID 61420806

IUPAC2-(4-ethylpiperidin-1-yl)pentan-3-amine
SMILESCCC1CCN(C(C)C(N)CC)CC1
InChIInChI=1S/C12H26N2/c1-4-11-6-8-14(9-7-11)10(3)12(13)5-2/h10-12H,4-9,13H2,1-3H3
InChIKeyMLZWJXHLXNYIJQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds4

About 2-(4-ethylpiperidin-1-yl)pentan-3-amine

2-(4-ethylpiperidin-1-yl)pentan-3-amine (PubChem CID 61420806) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)pentan-3-amine
PubChem CID61420806
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(4-ethylpiperidin-1-yl)pentan-3-amine
SMILESCCC1CCN(C(C)C(N)CC)CC1
InChIInChI=1S/C12H26N2/c1-4-11-6-8-14(9-7-11)10(3)12(13)5-2/h10-12H,4-9,13H2,1-3H3
InChIKeyMLZWJXHLXNYIJQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103495147
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
2-(azepan-1-yl)pentan-3-amine
CID 16789073
3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 104840510
1-(4-ethylpiperidin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021620
3-(4-ethylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012074
1-[1-(azetidin-3-yl)propyl]-4-ethylpiperidine
CID 173239972
3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 104711134
3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
CID 63974033
3-(4-ethylpiperidin-1-yl)butanenitrile
CID 61361415
1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol
CID 123473527
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)pentan-3-amine (CID 61420806) is 2-(4-ethylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)pentan-3-amine is CCC1CCN(C(C)C(N)CC)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)pentan-3-amine?
The InChIKey is MLZWJXHLXNYIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11-6-8-14(9-7-11)10(3)12(13)5-2/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)pentan-3-amine?
2-(4-ethylpiperidin-1-yl)pentan-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 61420806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).