(2-methylpropylamino)urea

C5H13N3O — CID 55285405

IUPAC(2-methylpropylamino)urea
SMILESCC(C)CNNC(N)=O
InChIInChI=1S/C5H13N3O/c1-4(2)3-7-8-5(6)9/h4,7H,3H2,1-2H3,(H3,6,8,9)
InChIKeyBBXGONZFGCFXSD-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.18
Rot. Bonds3

About (2-methylpropylamino)urea

(2-methylpropylamino)urea (PubChem CID 55285405) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is (2-methylpropylamino)urea.

Molecular Properties

Compound Name(2-methylpropylamino)urea
PubChem CID55285405
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name(2-methylpropylamino)urea
SMILESCC(C)CNNC(N)=O
InChIInChI=1S/C5H13N3O/c1-4(2)3-7-8-5(6)9/h4,7H,3H2,1-2H3,(H3,6,8,9)
InChIKeyBBXGONZFGCFXSD-UHFFFAOYSA-N
XLogP-0.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propylaminourea
CID 55291175
(2-methylpropanoylamino)urea
CID 60704517
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
3-(2-methylpropylamino)butanamide
CID 90751378
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
[2-(2-methylpropyl)hydrazinyl]methanol
CID 91240947
(2-cyclopropylpropanoylamino)urea
CID 83150747
2-(2-methylpropylamino)oxyacetamide
CID 112672654
1-(diaminomethylidene)-3-(2-methylpropyl)urea
CID 18722015
2-methyl-N'-(2-methylpropyl)hept-2-enehydrazide
CID 141470563
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
(Z)-4-(2-carbamoylhydrazinyl)-2,3-dichlorobut-2-enoic acid
CID 92530778

Frequently Asked Questions

What is the IUPAC name of (2-methylpropylamino)urea?
The IUPAC name of (2-methylpropylamino)urea (CID 55285405) is (2-methylpropylamino)urea.
What is the SMILES notation for (2-methylpropylamino)urea?
The canonical SMILES for (2-methylpropylamino)urea is CC(C)CNNC(N)=O.
What is the InChIKey of (2-methylpropylamino)urea?
The InChIKey is BBXGONZFGCFXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(2)3-7-8-5(6)9/h4,7H,3H2,1-2H3,(H3,6,8,9).
What are the key properties of (2-methylpropylamino)urea?
(2-methylpropylamino)urea has a molecular weight of 131.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropylamino)urea is sourced from PubChem (CID 55285405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).