1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea

C13H27N3O — CID 79153266

IUPAC1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
SMILESCCCNC1CCC(N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-5-10-14-11-6-8-12(9-7-11)16(4)13(17)15(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyPHILHTSRYHPXBR-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.91
Rot. Bonds4

About 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea

1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea (PubChem CID 79153266) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
PubChem CID79153266
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
SMILESCCCNC1CCC(N(C)C(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-5-10-14-11-6-8-12(9-7-11)16(4)13(17)15(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyPHILHTSRYHPXBR-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
CID 103017156
N-methyl-N-[4-(propylamino)cyclohexyl]oxolane-3-carboxamide
CID 79122716
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
CID 79122871
N,2,5-trimethyl-N-[4-(propylamino)cyclohexyl]furan-3-carboxamide
CID 79116538

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea (CID 79153266) is 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea is CCCNC1CCC(N(C)C(=O)N(C)C)CC1.
What is the InChIKey of 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea?
The InChIKey is PHILHTSRYHPXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-10-14-11-6-8-12(9-7-11)16(4)13(17)15(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea?
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea has a molecular weight of 241.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea is sourced from PubChem (CID 79153266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).