1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea

C14H29N3O — CID 116658174

IUPAC1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea
SMILESCCCN(C(=O)NC1CCC1)C(CC)(CC)CN
InChIInChI=1S/C14H29N3O/c1-4-10-17(14(5-2,6-3)11-15)13(18)16-12-8-7-9-12/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyOQFXXIZAXPQPGS-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.48
Rot. Bonds7

About 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea

1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea (PubChem CID 116658174) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea.

Molecular Properties

Compound Name1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea
PubChem CID116658174
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea
SMILESCCCN(C(=O)NC1CCC1)C(CC)(CC)CN
InChIInChI=1S/C14H29N3O/c1-4-10-17(14(5-2,6-3)11-15)13(18)16-12-8-7-9-12/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyOQFXXIZAXPQPGS-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
CID 62010007
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
1-[1-(aminomethyl)cyclopentyl]-3-cyclobutyl-1-propylurea
CID 116658167
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea?
The IUPAC name of 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea (CID 116658174) is 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea.
What is the SMILES notation for 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea?
The canonical SMILES for 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea is CCCN(C(=O)NC1CCC1)C(CC)(CC)CN.
What is the InChIKey of 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea?
The InChIKey is OQFXXIZAXPQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-10-17(14(5-2,6-3)11-15)13(18)16-12-8-7-9-12/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea?
1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea has a molecular weight of 255.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea is sourced from PubChem (CID 116658174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).