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

C14H29N3O — CID 86811911

IUPAC1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NC1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)9-13(10-17(3)4)16-14(18)15-12-7-5-6-8-12/h11-13H,5-10H2,1-4H3,(H2,15,16,18)
InChIKeyHBSYXIFAUZJQDE-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.20
Rot. Bonds6

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

1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (PubChem CID 86811911) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
PubChem CID86811911
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NC1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)9-13(10-17(3)4)16-14(18)15-12-7-5-6-8-12/h11-13H,5-10H2,1-4H3,(H2,15,16,18)
InChIKeyHBSYXIFAUZJQDE-UHFFFAOYSA-N
XLogP2.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504848
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773
2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (CID 86811911) is 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is CC(C)CC(CN(C)C)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The InChIKey is HBSYXIFAUZJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)9-13(10-17(3)4)16-14(18)15-12-7-5-6-8-12/h11-13H,5-10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea has a molecular weight of 255.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is sourced from PubChem (CID 86811911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).