1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea

C14H29N3O — CID 79122790

IUPAC1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
SMILESCCCNC1CCC(N(C)C(=O)NC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-10-15-12-6-8-13(9-7-12)17(4)14(18)16-11(2)3/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyZZXOJFVOJZJQES-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.35
Rot. Bonds5

About 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea

1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea (PubChem CID 79122790) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
PubChem CID79122790
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
SMILESCCCNC1CCC(N(C)C(=O)NC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-10-15-12-6-8-13(9-7-12)17(4)14(18)16-11(2)3/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyZZXOJFVOJZJQES-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea
CID 97018628
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
1-(4,4-dimethylcyclohexyl)-1-methyl-3-propan-2-ylurea
CID 115686583
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
CID 103017156

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea?
The IUPAC name of 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea (CID 79122790) is 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea.
What is the SMILES notation for 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea?
The canonical SMILES for 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea is CCCNC1CCC(N(C)C(=O)NC(C)C)CC1.
What is the InChIKey of 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea?
The InChIKey is ZZXOJFVOJZJQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-10-15-12-6-8-13(9-7-12)17(4)14(18)16-11(2)3/h11-13,15H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea?
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea has a molecular weight of 255.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea is sourced from PubChem (CID 79122790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).