hexan-3-ylurea;molecular hydrogen

C7H20N2O — CID 143768672

IUPAChexan-3-ylurea;molecular hydrogen
SMILESCCCC(CC)NC(N)=O.[H][H].[H][H]
InChIInChI=1S/C7H16N2O.2H2/c1-3-5-6(4-2)9-7(8)10;;/h6H,3-5H2,1-2H3,(H3,8,9,10);2*1H
InChIKeyDHBNGRKEEMUDKR-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.73
Rot. Bonds4

About hexan-3-ylurea;molecular hydrogen

hexan-3-ylurea;molecular hydrogen (PubChem CID 143768672) has the molecular formula C7H20N2O and a molecular weight of 148.25 g/mol. Its IUPAC name is hexan-3-ylurea;molecular hydrogen.

Molecular Properties

Compound Namehexan-3-ylurea;molecular hydrogen
PubChem CID143768672
Molecular FormulaC7H20N2O
Molecular Weight148.25 g/mol
Exact Mass148.16
IUPAC Namehexan-3-ylurea;molecular hydrogen
SMILESCCCC(CC)NC(N)=O.[H][H].[H][H]
InChIInChI=1S/C7H16N2O.2H2/c1-3-5-6(4-2)9-7(8)10;;/h6H,3-5H2,1-2H3,(H3,8,9,10);2*1H
InChIKeyDHBNGRKEEMUDKR-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze hexan-3-ylurea;molecular hydrogen 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

(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
CID 92527887
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536
methyl 2-(hexan-3-ylamino)-2-oxoacetate
CID 112617114
4-amino-N-hexan-3-ylbenzamide
CID 62094734
7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664
3-amino-N-hexan-3-yl-2,2,3-trimethylbutanamide
CID 65266746
5,7-bis(carbamoylamino)heptan-3-ylurea
CID 154207016
2-amino-N-[2-(hexan-3-ylamino)-2-oxoethyl]acetamide
CID 62117084
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
CID 114995860
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
1-triethoxysilylheptan-4-ylurea
CID 87656666

Frequently Asked Questions

What is the IUPAC name of hexan-3-ylurea;molecular hydrogen?
The IUPAC name of hexan-3-ylurea;molecular hydrogen (CID 143768672) is hexan-3-ylurea;molecular hydrogen.
What is the SMILES notation for hexan-3-ylurea;molecular hydrogen?
The canonical SMILES for hexan-3-ylurea;molecular hydrogen is CCCC(CC)NC(N)=O.[H][H].[H][H].
What is the InChIKey of hexan-3-ylurea;molecular hydrogen?
The InChIKey is DHBNGRKEEMUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2H2/c1-3-5-6(4-2)9-7(8)10;;/h6H,3-5H2,1-2H3,(H3,8,9,10);2*1H.
What are the key properties of hexan-3-ylurea;molecular hydrogen?
hexan-3-ylurea;molecular hydrogen has a molecular weight of 148.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-ylurea;molecular hydrogen is sourced from PubChem (CID 143768672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).