N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine

C13H28N2 — CID 43307614

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)C1CCN(CC)CC1
InChIInChI=1S/C13H28N2/c1-4-6-9-14-12(3)13-7-10-15(5-2)11-8-13/h12-14H,4-11H2,1-3H3
InChIKeyWFZFOYPMHQFGFT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine (PubChem CID 43307614) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
PubChem CID43307614
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)C1CCN(CC)CC1
InChIInChI=1S/C13H28N2/c1-4-6-9-14-12(3)13-7-10-15(5-2)11-8-13/h12-14H,4-11H2,1-3H3
InChIKeyWFZFOYPMHQFGFT-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
1-(1-ethylpiperidin-4-yl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099614
N-[1-(1-ethylpiperidin-4-yl)ethyl]octan-4-amine
CID 106023059

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine (CID 43307614) is N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine is CCCCNC(C)C1CCN(CC)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine?
The InChIKey is WFZFOYPMHQFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-9-14-12(3)13-7-10-15(5-2)11-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 43307614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).