1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea

C12H25N3O — CID 55769941

IUPAC1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NC1CC1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(8-15(3)4)14-12(16)13-10-5-6-10/h9-11H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyABBOMMNJORBABP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.42
Rot. Bonds6

About 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea

1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (PubChem CID 55769941) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
PubChem CID55769941
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NC1CC1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(8-15(3)4)14-12(16)13-10-5-6-10/h9-11H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyABBOMMNJORBABP-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504848
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730
2-(cyclopropylmethoxy)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 86846922
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (CID 55769941) is 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is CC(C)CC(CN(C)C)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The InChIKey is ABBOMMNJORBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)7-11(8-15(3)4)14-12(16)13-10-5-6-10/h9-11H,5-8H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea has a molecular weight of 227.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is sourced from PubChem (CID 55769941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).