1-(3-methylpentan-2-yl)-3-propan-2-ylurea

C10H22N2O — CID 115591147

IUPAC1-(3-methylpentan-2-yl)-3-propan-2-ylurea
SMILESCCC(C)C(C)NC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-6-8(4)9(5)12-10(13)11-7(2)3/h7-9H,6H2,1-5H3,(H2,11,12,13)
InChIKeyPXXPFQDHHPPZRO-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.13
Rot. Bonds4

About 1-(3-methylpentan-2-yl)-3-propan-2-ylurea

1-(3-methylpentan-2-yl)-3-propan-2-ylurea (PubChem CID 115591147) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)-3-propan-2-ylurea
PubChem CID115591147
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-methylpentan-2-yl)-3-propan-2-ylurea
SMILESCCC(C)C(C)NC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-6-8(4)9(5)12-10(13)11-7(2)3/h7-9H,6H2,1-5H3,(H2,11,12,13)
InChIKeyPXXPFQDHHPPZRO-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
ethyl (2R,3S)-2-methyl-3-(propan-2-ylcarbamoylamino)butanoate
CID 100740683
(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 78976356
(2S)-4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 63305245
2-methoxy-N-(3-methylpentan-2-yl)propanamide
CID 115591162
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
N-(3-methylpentan-2-yl)prop-2-ynamide
CID 126988457
N-(3-methylpentan-2-yl)azepane-1-carboxamide
CID 115591353
(2S)-2-(3-ethylpentan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 63844080
1-[(3-methylpentan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436807

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-methylpentan-2-yl)-3-propan-2-ylurea (CID 115591147) is 1-(3-methylpentan-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-methylpentan-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-methylpentan-2-yl)-3-propan-2-ylurea is CCC(C)C(C)NC(=O)NC(C)C.
What is the InChIKey of 1-(3-methylpentan-2-yl)-3-propan-2-ylurea?
The InChIKey is PXXPFQDHHPPZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-8(4)9(5)12-10(13)11-7(2)3/h7-9H,6H2,1-5H3,(H2,11,12,13).
What are the key properties of 1-(3-methylpentan-2-yl)-3-propan-2-ylurea?
1-(3-methylpentan-2-yl)-3-propan-2-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 115591147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).