1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine

C8H22N4 — CID 141030992

IUPAC1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
SMILESCCCC(NCCN)NCCN
InChIInChI=1S/C8H22N4/c1-2-3-8(11-6-4-9)12-7-5-10/h8,11-12H,2-7,9-10H2,1H3
InChIKeyKFUZWRXAXKWJIV-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.79
Rot. Bonds8

About 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine

1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine (PubChem CID 141030992) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
PubChem CID141030992
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
SMILESCCCC(NCCN)NCCN
InChIInChI=1S/C8H22N4/c1-2-3-8(11-6-4-9)12-7-5-10/h8,11-12H,2-7,9-10H2,1H3
InChIKeyKFUZWRXAXKWJIV-UHFFFAOYSA-N
XLogP-0.79
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.79
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,1-N'-dipropylbutane-1,1-diamine
CID 154626428
1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine
CID 173120375
1-N,1-N'-bis(3-aminopropyl)octane-1,1-diamine
CID 57162858
5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine
CID 139681919
1-(2-aminoethylamino)-3-methylhexan-1-ol
CID 89007637
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
3-N-propylhexane-1,3-diamine
CID 88724695
1-(3-hydroxyhexylamino)hexan-3-ol
CID 19936302
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
CID 57293793

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine (CID 141030992) is 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine is CCCC(NCCN)NCCN.
What is the InChIKey of 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine?
The InChIKey is KFUZWRXAXKWJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-2-3-8(11-6-4-9)12-7-5-10/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine?
1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine has a molecular weight of 174.29 g/mol, XLogP of -0.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine is sourced from PubChem (CID 141030992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).