3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea

C15H31N3O — CID 110443807

IUPAC3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCCCCN(C)C1CCCCC1
InChIInChI=1S/C15H31N3O/c1-17(2)15(19)16-12-8-5-9-13-18(3)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyBXINFALKFWIAQH-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.69
Rot. Bonds7

About 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea

3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea (PubChem CID 110443807) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
PubChem CID110443807
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCCCCN(C)C1CCCCC1
InChIInChI=1S/C15H31N3O/c1-17(2)15(19)16-12-8-5-9-13-18(3)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyBXINFALKFWIAQH-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853

Frequently Asked Questions

What is the IUPAC name of 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea?
The IUPAC name of 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea (CID 110443807) is 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea?
The canonical SMILES for 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea is CN(C)C(=O)NCCCCCN(C)C1CCCCC1.
What is the InChIKey of 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea?
The InChIKey is BXINFALKFWIAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(2)15(19)16-12-8-5-9-13-18(3)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,16,19).
What are the key properties of 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea?
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea has a molecular weight of 269.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea is sourced from PubChem (CID 110443807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).