1-(2-aminoethyl)-3-propan-2-ylurea

C6H15N3O — CID 13030915

IUPAC1-(2-aminoethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN
InChIInChI=1S/C6H15N3O/c1-5(2)9-6(10)8-4-3-7/h5H,3-4,7H2,1-2H3,(H2,8,9,10)
InChIKeyAKJJTXGNHCANIF-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.35
Rot. Bonds3

About 1-(2-aminoethyl)-3-propan-2-ylurea

1-(2-aminoethyl)-3-propan-2-ylurea (PubChem CID 13030915) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-propan-2-ylurea
PubChem CID13030915
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(2-aminoethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN
InChIInChI=1S/C6H15N3O/c1-5(2)9-6(10)8-4-3-7/h5H,3-4,7H2,1-2H3,(H2,8,9,10)
InChIKeyAKJJTXGNHCANIF-UHFFFAOYSA-N
XLogP-0.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61403091
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
1-hexyl-3-propan-2-ylurea
CID 23264656
1-(2-cyanoethyl)-3-propan-2-ylurea
CID 60971212
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-aminoethyl)-3-propan-2-ylurea (CID 13030915) is 1-(2-aminoethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-3-propan-2-ylurea?
The InChIKey is AKJJTXGNHCANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-5(2)9-6(10)8-4-3-7/h5H,3-4,7H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-(2-aminoethyl)-3-propan-2-ylurea?
1-(2-aminoethyl)-3-propan-2-ylurea has a molecular weight of 145.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-propan-2-ylurea is sourced from PubChem (CID 13030915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).