3-N'-(2-aminoethyl)pentane-3,3-diamine

C7H19N3 — CID 174433772

IUPAC3-N'-(2-aminoethyl)pentane-3,3-diamine
SMILESCCC(N)(CC)NCCN
InChIInChI=1S/C7H19N3/c1-3-7(9,4-2)10-6-5-8/h10H,3-6,8-9H2,1-2H3
InChIKeyMEIIROBPLQEBHY-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.01
Rot. Bonds5

About 3-N'-(2-aminoethyl)pentane-3,3-diamine

3-N'-(2-aminoethyl)pentane-3,3-diamine (PubChem CID 174433772) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-N'-(2-aminoethyl)pentane-3,3-diamine.

Molecular Properties

Compound Name3-N'-(2-aminoethyl)pentane-3,3-diamine
PubChem CID174433772
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name3-N'-(2-aminoethyl)pentane-3,3-diamine
SMILESCCC(N)(CC)NCCN
InChIInChI=1S/C7H19N3/c1-3-7(9,4-2)10-6-5-8/h10H,3-6,8-9H2,1-2H3
InChIKeyMEIIROBPLQEBHY-UHFFFAOYSA-N
XLogP0.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethylpentane-1,3-diamine
CID 22019015
5-N-(2-aminoethyl)-2,7-dimethyl-4,5-bis(2-methylpropyl)octane-4,5-diamine
CID 139835101
N-(2-aminoethyl)hydroxylamine;butane
CID 22159511
2-(2-aminoethylamino)-2-methylpropanedinitrile
CID 139298489
1-(2-aminoethylamino)-1-methoxyethanol
CID 151770425
3-N-(2-aminoethyl)-3-(aminomethyl)pentane-1,3,5-triamine
CID 166682412
2-ethylbutane-1,2,4-triamine
CID 88635089
2-hydrazinylethanamine;propane
CID 87476365
2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid
CID 57203596
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
1-N"-ethylpropane-1,1,1-triamine
CID 155147575
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140

Frequently Asked Questions

What is the IUPAC name of 3-N'-(2-aminoethyl)pentane-3,3-diamine?
The IUPAC name of 3-N'-(2-aminoethyl)pentane-3,3-diamine (CID 174433772) is 3-N'-(2-aminoethyl)pentane-3,3-diamine.
What is the SMILES notation for 3-N'-(2-aminoethyl)pentane-3,3-diamine?
The canonical SMILES for 3-N'-(2-aminoethyl)pentane-3,3-diamine is CCC(N)(CC)NCCN.
What is the InChIKey of 3-N'-(2-aminoethyl)pentane-3,3-diamine?
The InChIKey is MEIIROBPLQEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-3-7(9,4-2)10-6-5-8/h10H,3-6,8-9H2,1-2H3.
What are the key properties of 3-N'-(2-aminoethyl)pentane-3,3-diamine?
3-N'-(2-aminoethyl)pentane-3,3-diamine has a molecular weight of 145.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-(2-aminoethyl)pentane-3,3-diamine is sourced from PubChem (CID 174433772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).