1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea

C14H28N2O2 — CID 111618340

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
SMILESCC(C)CCCC(C)NC(=O)NCC1(CO)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)5-4-6-12(3)16-13(18)15-9-14(10-17)7-8-14/h11-12,17H,4-10H2,1-3H3,(H2,15,16,18)
InChIKeyCDXOBRDXNCWFGE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.27
Rot. Bonds8

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea (PubChem CID 111618340) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
PubChem CID111618340
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
SMILESCC(C)CCCC(C)NC(=O)NCC1(CO)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)5-4-6-12(3)16-13(18)15-9-14(10-17)7-8-14/h11-12,17H,4-10H2,1-3H3,(H2,15,16,18)
InChIKeyCDXOBRDXNCWFGE-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934
1-(4-ethylsulfanylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619080
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309355
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
CID 115267413
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea (CID 111618340) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea is CC(C)CCCC(C)NC(=O)NCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea?
The InChIKey is CDXOBRDXNCWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)5-4-6-12(3)16-13(18)15-9-14(10-17)7-8-14/h11-12,17H,4-10H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea has a molecular weight of 256.39 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea is sourced from PubChem (CID 111618340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).