CID 59325926

C6H15N4O2 — CID 59325926

IUPAC—
SMILESNC(N)[N]CCCC(N)C(=O)O
InChIInChI=1S/C6H15N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,6H,1-3,7-9H2,(H,11,12)
InChIKeyVLAZQAOQJCCDDR-UHFFFAOYSA-N
MW175.21 g/mol
LogP-2.02
Rot. Bonds6

About CID 59325926

CID 59325926 (PubChem CID 59325926) has the molecular formula C6H15N4O2 and a molecular weight of 175.21 g/mol.

Molecular Properties

Compound NameCID 59325926
PubChem CID59325926
Molecular FormulaC6H15N4O2
Molecular Weight175.21 g/mol
Exact Mass175.12
IUPAC Name—
SMILESNC(N)[N]CCCC(N)C(=O)O
InChIInChI=1S/C6H15N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,6H,1-3,7-9H2,(H,11,12)
InChIKeyVLAZQAOQJCCDDR-UHFFFAOYSA-N
XLogP-2.02
TPSA129.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2,6-diaminoheptanedioic acid
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CID 6994849
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
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potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
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(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
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CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-diaminobutanoic acid
CID 122439105
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of CID 59325926?
The IUPAC name of CID 59325926 (CID 59325926) is not available.
What is the SMILES notation for CID 59325926?
The canonical SMILES for CID 59325926 is NC(N)[N]CCCC(N)C(=O)O.
What is the InChIKey of CID 59325926?
The InChIKey is VLAZQAOQJCCDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,6H,1-3,7-9H2,(H,11,12).
What are the key properties of CID 59325926?
CID 59325926 has a molecular weight of 175.21 g/mol, XLogP of -2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59325926 is sourced from PubChem (CID 59325926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).