1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea

C19H38N6O2 — CID 12035238

IUPAC1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
SMILESCN(C)NC(=O)NC1CCC(CC2CCC(NC(=O)NN(C)C)CC2)CC1
InChIInChI=1S/C19H38N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h14-17H,5-13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
InChIKeySVOIFFCGMDXIDI-UHFFFAOYSA-N
MW382.55 g/mol
LogP2.05
Rot. Bonds6

About 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea

1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea (PubChem CID 12035238) has the molecular formula C19H38N6O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
PubChem CID12035238
Molecular FormulaC19H38N6O2
Molecular Weight382.55 g/mol
Exact Mass382.31
IUPAC Name1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
SMILESCN(C)NC(=O)NC1CCC(CC2CCC(NC(=O)NN(C)C)CC2)CC1
InChIInChI=1S/C19H38N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h14-17H,5-13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
InChIKeySVOIFFCGMDXIDI-UHFFFAOYSA-N
XLogP2.05
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
1-(dimethylamino)-3-piperidin-4-ylurea
CID 174543793
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
2,2,2-tribromo-N-[4-[[4-[(2,2,2-tribromoacetyl)amino]cyclohexyl]methyl]cyclohexyl]acetamide
CID 20741097
amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 126490326
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 139648367
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291
1-cyclohexyl-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 115270084

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea?
The IUPAC name of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea (CID 12035238) is 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea is CN(C)NC(=O)NC1CCC(CC2CCC(NC(=O)NN(C)C)CC2)CC1.
What is the InChIKey of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea?
The InChIKey is SVOIFFCGMDXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h14-17H,5-13H2,1-4H3,(H2,20,22,26)(H2,21,23,27).
What are the key properties of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea?
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea has a molecular weight of 382.55 g/mol, XLogP of 2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea is sourced from PubChem (CID 12035238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).