1-(1-adamantyl)-3-(2-aminopropyl)urea

C14H25N3O — CID 63731476

IUPAC1-(1-adamantyl)-3-(2-aminopropyl)urea
SMILESCC(N)CNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N3O/c1-9(15)8-16-13(18)17-14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8,15H2,1H3,(H2,16,17,18)
InChIKeyROLRYEDWJWCESN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.60
Rot. Bonds3

About 1-(1-adamantyl)-3-(2-aminopropyl)urea

1-(1-adamantyl)-3-(2-aminopropyl)urea (PubChem CID 63731476) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(2-aminopropyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(2-aminopropyl)urea
PubChem CID63731476
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(1-adamantyl)-3-(2-aminopropyl)urea
SMILESCC(N)CNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25N3O/c1-9(15)8-16-13(18)17-14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8,15H2,1H3,(H2,16,17,18)
InChIKeyROLRYEDWJWCESN-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
CID 62666112
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63261849
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
1-(1-adamantyl)-3-(2-amino-2-sulfanylideneethyl)urea
CID 61127673
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
CID 119520066

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(2-aminopropyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(2-aminopropyl)urea (CID 63731476) is 1-(1-adamantyl)-3-(2-aminopropyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(2-aminopropyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(2-aminopropyl)urea is CC(N)CNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(2-aminopropyl)urea?
The InChIKey is ROLRYEDWJWCESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(15)8-16-13(18)17-14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1-adamantyl)-3-(2-aminopropyl)urea?
1-(1-adamantyl)-3-(2-aminopropyl)urea has a molecular weight of 251.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(2-aminopropyl)urea is sourced from PubChem (CID 63731476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).