2-[(2-hydroxycycloheptyl)amino]ethylurea

C10H21N3O2 — CID 83121315

IUPAC2-[(2-hydroxycycloheptyl)amino]ethylurea
SMILESNC(=O)NCCNC1CCCCCC1O
InChIInChI=1S/C10H21N3O2/c11-10(15)13-7-6-12-8-4-2-1-3-5-9(8)14/h8-9,12,14H,1-7H2,(H3,11,13,15)
InChIKeyDNHBTOXWBKSHBK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(2-hydroxycycloheptyl)amino]ethylurea

2-[(2-hydroxycycloheptyl)amino]ethylurea (PubChem CID 83121315) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(2-hydroxycycloheptyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(2-hydroxycycloheptyl)amino]ethylurea
PubChem CID83121315
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(2-hydroxycycloheptyl)amino]ethylurea
SMILESNC(=O)NCCNC1CCCCCC1O
InChIInChI=1S/C10H21N3O2/c11-10(15)13-7-6-12-8-4-2-1-3-5-9(8)14/h8-9,12,14H,1-7H2,(H3,11,13,15)
InChIKeyDNHBTOXWBKSHBK-UHFFFAOYSA-N
XLogP-0.06
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxycycloheptyl)amino]ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol
CID 106325588
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
CID 113394731
2-(3-methylsulfonylpropylamino)cycloheptan-1-ol
CID 61020871

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycycloheptyl)amino]ethylurea?
The IUPAC name of 2-[(2-hydroxycycloheptyl)amino]ethylurea (CID 83121315) is 2-[(2-hydroxycycloheptyl)amino]ethylurea.
What is the SMILES notation for 2-[(2-hydroxycycloheptyl)amino]ethylurea?
The canonical SMILES for 2-[(2-hydroxycycloheptyl)amino]ethylurea is NC(=O)NCCNC1CCCCCC1O.
What is the InChIKey of 2-[(2-hydroxycycloheptyl)amino]ethylurea?
The InChIKey is DNHBTOXWBKSHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(15)13-7-6-12-8-4-2-1-3-5-9(8)14/h8-9,12,14H,1-7H2,(H3,11,13,15).
What are the key properties of 2-[(2-hydroxycycloheptyl)amino]ethylurea?
2-[(2-hydroxycycloheptyl)amino]ethylurea has a molecular weight of 215.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycycloheptyl)amino]ethylurea is sourced from PubChem (CID 83121315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).