3-(1-aminopentan-2-yl)-1,1-dimethylurea

C8H19N3O — CID 79154615

IUPAC3-(1-aminopentan-2-yl)-1,1-dimethylurea
SMILESCCCC(CN)NC(=O)N(C)C
InChIInChI=1S/C8H19N3O/c1-4-5-7(6-9)10-8(12)11(2)3/h7H,4-6,9H2,1-3H3,(H,10,12)
InChIKeyCOANBBFETITWGH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds4

About 3-(1-aminopentan-2-yl)-1,1-dimethylurea

3-(1-aminopentan-2-yl)-1,1-dimethylurea (PubChem CID 79154615) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(1-aminopentan-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-aminopentan-2-yl)-1,1-dimethylurea
PubChem CID79154615
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-(1-aminopentan-2-yl)-1,1-dimethylurea
SMILESCCCC(CN)NC(=O)N(C)C
InChIInChI=1S/C8H19N3O/c1-4-5-7(6-9)10-8(12)11(2)3/h7H,4-6,9H2,1-3H3,(H,10,12)
InChIKeyCOANBBFETITWGH-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminohexan-2-yl)-1,1-dimethylurea
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N-(1-aminopentan-2-yl)-4-methylpentanamide
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3-(4-aminobutan-2-yl)-1,1-dimethylurea
CID 79154286
3-[(2S)-1-hydroxybutan-2-yl]-1,1-dimethylurea
CID 104981793
N-(1-aminopentan-2-yl)-3-propoxypropanamide
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N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
2-(heptan-4-ylamino)-N,N-dimethylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopentan-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1-aminopentan-2-yl)-1,1-dimethylurea (CID 79154615) is 3-(1-aminopentan-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-aminopentan-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-aminopentan-2-yl)-1,1-dimethylurea is CCCC(CN)NC(=O)N(C)C.
What is the InChIKey of 3-(1-aminopentan-2-yl)-1,1-dimethylurea?
The InChIKey is COANBBFETITWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-5-7(6-9)10-8(12)11(2)3/h7H,4-6,9H2,1-3H3,(H,10,12).
What are the key properties of 3-(1-aminopentan-2-yl)-1,1-dimethylurea?
3-(1-aminopentan-2-yl)-1,1-dimethylurea has a molecular weight of 173.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopentan-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 79154615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).