ethane;1-pentylpiperidin-4-amine

C12H28N2 — CID 142516102

IUPACethane;1-pentylpiperidin-4-amine
SMILESCC.CCCCCN1CCC(N)CC1
InChIInChI=1S/C10H22N2.C2H6/c1-2-3-4-7-12-8-5-10(11)6-9-12;1-2/h10H,2-9,11H2,1H3;1-2H3
InChIKeyKVXQVNXKJRBKIG-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.63
Rot. Bonds4

About ethane;1-pentylpiperidin-4-amine

ethane;1-pentylpiperidin-4-amine (PubChem CID 142516102) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;1-pentylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;1-pentylpiperidin-4-amine
PubChem CID142516102
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;1-pentylpiperidin-4-amine
SMILESCC.CCCCCN1CCC(N)CC1
InChIInChI=1S/C10H22N2.C2H6/c1-2-3-4-7-12-8-5-10(11)6-9-12;1-2/h10H,2-9,11H2,1H3;1-2H3
InChIKeyKVXQVNXKJRBKIG-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-pentylpiperidin-4-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

1,4'-Bipiperidine
CID 78607
Novoldiamine
CID 78953
1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
3-amino-N-ethylpiperidine
CID 98094
N,N-Dimethylpiperidin-4-amine
CID 417391
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
4-Amino-1-methylpiperidine
CID 2737531
1-Ethylpiperidin-4-amine
CID 3734990
Piperidine-1-propylamine
CID 19049
4-Piperidinamine
CID 424361
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476

Frequently Asked Questions

What is the IUPAC name of ethane;1-pentylpiperidin-4-amine?
The IUPAC name of ethane;1-pentylpiperidin-4-amine (CID 142516102) is ethane;1-pentylpiperidin-4-amine.
What is the SMILES notation for ethane;1-pentylpiperidin-4-amine?
The canonical SMILES for ethane;1-pentylpiperidin-4-amine is CC.CCCCCN1CCC(N)CC1.
What is the InChIKey of ethane;1-pentylpiperidin-4-amine?
The InChIKey is KVXQVNXKJRBKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C2H6/c1-2-3-4-7-12-8-5-10(11)6-9-12;1-2/h10H,2-9,11H2,1H3;1-2H3.
What are the key properties of ethane;1-pentylpiperidin-4-amine?
ethane;1-pentylpiperidin-4-amine has a molecular weight of 200.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-pentylpiperidin-4-amine is sourced from PubChem (CID 142516102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).