1-(cyclopentylmethyl)-3-propan-2-ylurea

C10H20N2O — CID 84521639

IUPAC1-(cyclopentylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CCCC1
InChIInChI=1S/C10H20N2O/c1-8(2)12-10(13)11-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyNFUYJTAOMAWFAU-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.88
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-propan-2-ylurea

1-(cyclopentylmethyl)-3-propan-2-ylurea (PubChem CID 84521639) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-propan-2-ylurea
PubChem CID84521639
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(cyclopentylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CCCC1
InChIInChI=1S/C10H20N2O/c1-8(2)12-10(13)11-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyNFUYJTAOMAWFAU-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
CID 130758492
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
CID 86969896
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(cyclopentylmethyl)-3-propan-2-ylurea (CID 84521639) is 1-(cyclopentylmethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-propan-2-ylurea?
The InChIKey is NFUYJTAOMAWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)12-10(13)11-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(cyclopentylmethyl)-3-propan-2-ylurea?
1-(cyclopentylmethyl)-3-propan-2-ylurea has a molecular weight of 184.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-propan-2-ylurea is sourced from PubChem (CID 84521639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).