1-N",2-diethylbutane-1,1,1,2-tetramine

C8H22N4 — CID 21242428

IUPAC1-N",2-diethylbutane-1,1,1,2-tetramine
SMILESCCNC(N)(N)C(N)(CC)CC
InChIInChI=1S/C8H22N4/c1-4-7(9,5-2)8(10,11)12-6-3/h12H,4-6,9-11H2,1-3H3
InChIKeySFIXPSUUQRFHNR-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.32
Rot. Bonds5

About 1-N",2-diethylbutane-1,1,1,2-tetramine

1-N",2-diethylbutane-1,1,1,2-tetramine (PubChem CID 21242428) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-N",2-diethylbutane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N",2-diethylbutane-1,1,1,2-tetramine
PubChem CID21242428
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name1-N",2-diethylbutane-1,1,1,2-tetramine
SMILESCCNC(N)(N)C(N)(CC)CC
InChIInChI=1S/C8H22N4/c1-4-7(9,5-2)8(10,11)12-6-3/h12H,4-6,9-11H2,1-3H3
InChIKeySFIXPSUUQRFHNR-UHFFFAOYSA-N
XLogP-0.32
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N"-ethylpropane-1,1,1-triamine
CID 155147575
2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine
CID 163781431
sodium;3,4-diethylhexane-3,4-diamine;hydride;iron
CID 175128450
4-N-decyl-3,4-diethylhexane-3,4-diamine
CID 150923336
2-N,2-diethylbutane-1,2-diamine
CID 62066019
3,4-diethyl-4-methylhexan-3-amine
CID 89098047
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
N-ethyl-3-silylpentan-3-amine
CID 173065045
2-ethyl-1-N-methylbutane-1,2-diamine
CID 21278322
1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride
CID 161482790
2-ethyl-2-(ethylamino)butanamide
CID 60786562
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973

Frequently Asked Questions

What is the IUPAC name of 1-N",2-diethylbutane-1,1,1,2-tetramine?
The IUPAC name of 1-N",2-diethylbutane-1,1,1,2-tetramine (CID 21242428) is 1-N",2-diethylbutane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N",2-diethylbutane-1,1,1,2-tetramine?
The canonical SMILES for 1-N",2-diethylbutane-1,1,1,2-tetramine is CCNC(N)(N)C(N)(CC)CC.
What is the InChIKey of 1-N",2-diethylbutane-1,1,1,2-tetramine?
The InChIKey is SFIXPSUUQRFHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-4-7(9,5-2)8(10,11)12-6-3/h12H,4-6,9-11H2,1-3H3.
What are the key properties of 1-N",2-diethylbutane-1,1,1,2-tetramine?
1-N",2-diethylbutane-1,1,1,2-tetramine has a molecular weight of 174.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N",2-diethylbutane-1,1,1,2-tetramine is sourced from PubChem (CID 21242428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).