1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen

C9H24N2O2 — CID 142284413

IUPAC1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen
SMILESCCC(C)OCCCNC(=O)NC.[H][H].[H][H]
InChIInChI=1S/C9H20N2O2.2H2/c1-4-8(2)13-7-5-6-11-9(12)10-3;;/h8H,4-7H2,1-3H3,(H2,10,11,12);2*1H
InChIKeyMZJAEHCOAZLZCU-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.61
Rot. Bonds6

About 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen

1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen (PubChem CID 142284413) has the molecular formula C9H24N2O2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen.

Molecular Properties

Compound Name1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen
PubChem CID142284413
Molecular FormulaC9H24N2O2
Molecular Weight192.30 g/mol
Exact Mass192.18
IUPAC Name1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen
SMILESCCC(C)OCCCNC(=O)NC.[H][H].[H][H]
InChIInChI=1S/C9H20N2O2.2H2/c1-4-8(2)13-7-5-6-11-9(12)10-3;;/h8H,4-7H2,1-3H3,(H2,10,11,12);2*1H
InChIKeyMZJAEHCOAZLZCU-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yloxypropyl acetate
CID 134215719
1-butyl-3-methylurea;hydrochloride
CID 20501295
1-methyl-3-(7-methyloctyl)urea
CID 71899901
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide
CID 142043508
1-methyl-3-nonylurea
CID 91937244
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
6-butan-2-yloxyhexan-3-one
CID 106801966
propyl N-[3-(methylcarbamoylamino)propyl]carbamate
CID 23563503
1-[4,4-di(propan-2-yloxy)butyl]-3-methylurea
CID 132558973
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
methyl 3-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoate
CID 3409268

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen?
The IUPAC name of 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen (CID 142284413) is 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen.
What is the SMILES notation for 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen?
The canonical SMILES for 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen is CCC(C)OCCCNC(=O)NC.[H][H].[H][H].
What is the InChIKey of 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen?
The InChIKey is MZJAEHCOAZLZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.2H2/c1-4-8(2)13-7-5-6-11-9(12)10-3;;/h8H,4-7H2,1-3H3,(H2,10,11,12);2*1H.
What are the key properties of 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen?
1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen has a molecular weight of 192.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen is sourced from PubChem (CID 142284413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).