N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine

C10H23N3 — CID 83962890

IUPACN-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
SMILESCCNCCNCC1CCNCC1
InChIInChI=1S/C10H23N3/c1-2-11-7-8-13-9-10-3-5-12-6-4-10/h10-13H,2-9H2,1H3
InChIKeyIUMUBTAOGUFBCV-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.19
Rot. Bonds6

About N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine

N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 83962890) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
PubChem CID83962890
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
SMILESCCNCCNCC1CCNCC1
InChIInChI=1S/C10H23N3/c1-2-11-7-8-13-9-10-3-5-12-6-4-10/h10-13H,2-9H2,1H3
InChIKeyIUMUBTAOGUFBCV-UHFFFAOYSA-N
XLogP0.19
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
N-(piperidin-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 104759387
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
2-[2-(piperidin-4-ylmethylamino)ethoxy]ethanol
CID 79708237
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine (CID 83962890) is N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine is CCNCCNCC1CCNCC1.
What is the InChIKey of N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is IUMUBTAOGUFBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-2-11-7-8-13-9-10-3-5-12-6-4-10/h10-13H,2-9H2,1H3.
What are the key properties of N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine?
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 83962890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).