2-(1,4-diaminobutan-2-ylamino)butanediamide

C8H19N5O2 — CID 130301075

IUPAC2-(1,4-diaminobutan-2-ylamino)butanediamide
SMILESNCCC(CN)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C8H19N5O2/c9-2-1-5(4-10)13-6(8(12)15)3-7(11)14/h5-6,13H,1-4,9-10H2,(H2,11,14)(H2,12,15)
InChIKeyMLDIQCQPAAEYBX-UHFFFAOYSA-N
MW217.27 g/mol
LogP-3.02
Rot. Bonds8

About 2-(1,4-diaminobutan-2-ylamino)butanediamide

2-(1,4-diaminobutan-2-ylamino)butanediamide (PubChem CID 130301075) has the molecular formula C8H19N5O2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1,4-diaminobutan-2-ylamino)butanediamide.

Molecular Properties

Compound Name2-(1,4-diaminobutan-2-ylamino)butanediamide
PubChem CID130301075
Molecular FormulaC8H19N5O2
Molecular Weight217.27 g/mol
Exact Mass217.15
IUPAC Name2-(1,4-diaminobutan-2-ylamino)butanediamide
SMILESNCCC(CN)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C8H19N5O2/c9-2-1-5(4-10)13-6(8(12)15)3-7(11)14/h5-6,13H,1-4,9-10H2,(H2,11,14)(H2,12,15)
InChIKeyMLDIQCQPAAEYBX-UHFFFAOYSA-N
XLogP-3.02
TPSA150.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-3.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propan-2-ylamino)butanediamide
CID 66427979
2-(ethynylamino)butanediamide
CID 88775772
2-(aminomethyl)butanediamide
CID 20502890
(2S)-4-amino-2-methylbutanamide
CID 87412339
2-(pentan-3-ylamino)butanamide
CID 62899455
2-[[(1R)-3-amino-1-carboxy-3-oxopropyl]amino]butanedioic acid
CID 132518593
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
2-(4-methylanilino)butanediamide
CID 66427556
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
(3S)-4-amino-3-hydroxybutanamide
CID 12536775
3,4-diaminobutanamide
CID 66426891
2-(hexan-3-ylamino)-3-hydroxypropanamide
CID 138623238

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diaminobutan-2-ylamino)butanediamide?
The IUPAC name of 2-(1,4-diaminobutan-2-ylamino)butanediamide (CID 130301075) is 2-(1,4-diaminobutan-2-ylamino)butanediamide.
What is the SMILES notation for 2-(1,4-diaminobutan-2-ylamino)butanediamide?
The canonical SMILES for 2-(1,4-diaminobutan-2-ylamino)butanediamide is NCCC(CN)NC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-(1,4-diaminobutan-2-ylamino)butanediamide?
The InChIKey is MLDIQCQPAAEYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O2/c9-2-1-5(4-10)13-6(8(12)15)3-7(11)14/h5-6,13H,1-4,9-10H2,(H2,11,14)(H2,12,15).
What are the key properties of 2-(1,4-diaminobutan-2-ylamino)butanediamide?
2-(1,4-diaminobutan-2-ylamino)butanediamide has a molecular weight of 217.27 g/mol, XLogP of -3.02, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diaminobutan-2-ylamino)butanediamide is sourced from PubChem (CID 130301075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).