N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine

C9H22N4 — CID 145422276

IUPACN'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCN1CCC(N)CC1
InChIInChI=1S/C9H22N4/c10-3-4-12-5-8-13-6-1-9(11)2-7-13/h9,12H,1-8,10-11H2
InChIKeyHQTPONYWGZXFIA-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.04
Rot. Bonds5

About N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine

N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 145422276) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID145422276
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC NameN'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCN1CCC(N)CC1
InChIInChI=1S/C9H22N4/c10-3-4-12-5-8-13-6-1-9(11)2-7-13/h9,12H,1-8,10-11H2
InChIKeyHQTPONYWGZXFIA-UHFFFAOYSA-N
XLogP-1.04
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine
CID 155822659
N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 139362561
1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine
CID 114106107
2-(4-aminopiperidin-1-yl)ethanol
CID 15733445
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
4-N-[2-[2-(3-aminopyrrolidin-1-yl)ethylamino]ethyl]piperidine-1,4-diamine
CID 167027437
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
ethane;1-pentylpiperidin-4-amine
CID 142516102

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine (CID 145422276) is N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine is NCCNCCN1CCC(N)CC1.
What is the InChIKey of N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is HQTPONYWGZXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c10-3-4-12-5-8-13-6-1-9(11)2-7-13/h9,12H,1-8,10-11H2.
What are the key properties of N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 145422276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).