1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea

C15H27N3O — CID 62666112

IUPAC1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
SMILESCC(CN)CNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O/c1-10(8-16)9-17-14(19)18-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13H,2-9,16H2,1H3,(H2,17,18,19)
InChIKeyVWUHMTJEANKOFD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.85
Rot. Bonds4

About 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea

1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea (PubChem CID 62666112) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
PubChem CID62666112
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
SMILESCC(CN)CNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O/c1-10(8-16)9-17-14(19)18-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13H,2-9,16H2,1H3,(H2,17,18,19)
InChIKeyVWUHMTJEANKOFD-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63261849
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
1-(1-adamantyl)-3-(2-amino-2-sulfanylideneethyl)urea
CID 61127673
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
CID 63766148
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
1-(1-adamantyl)-3-hexylurea
CID 102308549

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea (CID 62666112) is 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea is CC(CN)CNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea?
The InChIKey is VWUHMTJEANKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(8-16)9-17-14(19)18-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13H,2-9,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea?
1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea has a molecular weight of 265.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea is sourced from PubChem (CID 62666112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).