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

C14H28N4O — CID 146109282

IUPAC1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
SMILESCN(C)C1CCC(NC(=O)NCC2CC(N)C2)CC1
InChIInChI=1S/C14H28N4O/c1-18(2)13-5-3-12(4-6-13)17-14(19)16-9-10-7-11(15)8-10/h10-13H,3-9,15H2,1-2H3,(H2,16,17,19)
InChIKeyBFQYYHGHHQXHAR-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.90
Rot. Bonds4

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

1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea (PubChem CID 146109282) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
PubChem CID146109282
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
SMILESCN(C)C1CCC(NC(=O)NCC2CC(N)C2)CC1
InChIInChI=1S/C14H28N4O/c1-18(2)13-5-3-12(4-6-13)17-14(19)16-9-10-7-11(15)8-10/h10-13H,3-9,15H2,1-2H3,(H2,16,17,19)
InChIKeyBFQYYHGHHQXHAR-UHFFFAOYSA-N
XLogP0.90
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
[4-(dimethylamino)cyclohexyl]urea
CID 59286114
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-(3-aminocyclobutyl)-3-cyclopropylurea
CID 62700809
1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
CID 66565735
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea?
The IUPAC name of 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea (CID 146109282) is 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea.
What is the SMILES notation for 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea?
The canonical SMILES for 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea is CN(C)C1CCC(NC(=O)NCC2CC(N)C2)CC1.
What is the InChIKey of 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea?
The InChIKey is BFQYYHGHHQXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-18(2)13-5-3-12(4-6-13)17-14(19)16-9-10-7-11(15)8-10/h10-13H,3-9,15H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea?
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea has a molecular weight of 268.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea is sourced from PubChem (CID 146109282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).