1,3-bis(2-aminopentan-2-yl)urea

C11H26N4O — CID 88745593

IUPAC1,3-bis(2-aminopentan-2-yl)urea
SMILESCCCC(C)(N)NC(=O)NC(C)(N)CCC
InChIInChI=1S/C11H26N4O/c1-5-7-10(3,12)14-9(16)15-11(4,13)8-6-2/h5-8,12-13H2,1-4H3,(H2,14,15,16)
InChIKeyQSJANCCTQOWAQI-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.24
Rot. Bonds6

About 1,3-bis(2-aminopentan-2-yl)urea

1,3-bis(2-aminopentan-2-yl)urea (PubChem CID 88745593) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 1,3-bis(2-aminopentan-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(2-aminopentan-2-yl)urea
PubChem CID88745593
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name1,3-bis(2-aminopentan-2-yl)urea
SMILESCCCC(C)(N)NC(=O)NC(C)(N)CCC
InChIInChI=1S/C11H26N4O/c1-5-7-10(3,12)14-9(16)15-11(4,13)8-6-2/h5-8,12-13H2,1-4H3,(H2,14,15,16)
InChIKeyQSJANCCTQOWAQI-UHFFFAOYSA-N
XLogP1.24
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.24
H-Bond Donors ≤ 54
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

2-(carboxyamino)pentan-2-ylcarbamic acid
CID 174501880
2-ethyl-2-methylpentanamide
CID 22376566
3-hydroxy-3-methylhexanehydrazide
CID 59409443
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
2-fluoro-2-methylpentanamide
CID 134346431
2-methylpentan-2-amine;sulfuric acid
CID 174200327
4-methylheptan-4-ylhydrazine
CID 23030896
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-aminopentan-2-yl)urea?
The IUPAC name of 1,3-bis(2-aminopentan-2-yl)urea (CID 88745593) is 1,3-bis(2-aminopentan-2-yl)urea.
What is the SMILES notation for 1,3-bis(2-aminopentan-2-yl)urea?
The canonical SMILES for 1,3-bis(2-aminopentan-2-yl)urea is CCCC(C)(N)NC(=O)NC(C)(N)CCC.
What is the InChIKey of 1,3-bis(2-aminopentan-2-yl)urea?
The InChIKey is QSJANCCTQOWAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-5-7-10(3,12)14-9(16)15-11(4,13)8-6-2/h5-8,12-13H2,1-4H3,(H2,14,15,16).
What are the key properties of 1,3-bis(2-aminopentan-2-yl)urea?
1,3-bis(2-aminopentan-2-yl)urea has a molecular weight of 230.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-aminopentan-2-yl)urea is sourced from PubChem (CID 88745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).