3-(aminomethyl)pentan-3-ylurea

C7H17N3O — CID 63766558

IUPAC3-(aminomethyl)pentan-3-ylurea
SMILESCCC(CC)(CN)NC(N)=O
InChIInChI=1S/C7H17N3O/c1-3-7(4-2,5-8)10-6(9)11/h3-5,8H2,1-2H3,(H3,9,10,11)
InChIKeyFXZRAAHOOWAVIK-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.17
Rot. Bonds4

About 3-(aminomethyl)pentan-3-ylurea

3-(aminomethyl)pentan-3-ylurea (PubChem CID 63766558) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(aminomethyl)pentan-3-ylurea.

Molecular Properties

Compound Name3-(aminomethyl)pentan-3-ylurea
PubChem CID63766558
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(aminomethyl)pentan-3-ylurea
SMILESCCC(CC)(CN)NC(N)=O
InChIInChI=1S/C7H17N3O/c1-3-7(4-2,5-8)10-6(9)11/h3-5,8H2,1-2H3,(H3,9,10,11)
InChIKeyFXZRAAHOOWAVIK-UHFFFAOYSA-N
XLogP0.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pentan-3-ylurea?
The IUPAC name of 3-(aminomethyl)pentan-3-ylurea (CID 63766558) is 3-(aminomethyl)pentan-3-ylurea.
What is the SMILES notation for 3-(aminomethyl)pentan-3-ylurea?
The canonical SMILES for 3-(aminomethyl)pentan-3-ylurea is CCC(CC)(CN)NC(N)=O.
What is the InChIKey of 3-(aminomethyl)pentan-3-ylurea?
The InChIKey is FXZRAAHOOWAVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-7(4-2,5-8)10-6(9)11/h3-5,8H2,1-2H3,(H3,9,10,11).
What are the key properties of 3-(aminomethyl)pentan-3-ylurea?
3-(aminomethyl)pentan-3-ylurea has a molecular weight of 159.23 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pentan-3-ylurea is sourced from PubChem (CID 63766558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).