1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea

C11H23N3O — CID 116656611

IUPAC1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC1CCCN1C
InChIInChI=1S/C11H23N3O/c1-9(2)12-11(15)14(4)8-10-6-5-7-13(10)3/h9-10H,5-8H2,1-4H3,(H,12,15)
InChIKeyPFPDUHHPBRBDIO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds3

About 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea

1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea (PubChem CID 116656611) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
PubChem CID116656611
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC1CCCN1C
InChIInChI=1S/C11H23N3O/c1-9(2)12-11(15)14(4)8-10-6-5-7-13(10)3/h9-10H,5-8H2,1-4H3,(H,12,15)
InChIKeyPFPDUHHPBRBDIO-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79315110
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373
(2R)-3,3-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 103928149
(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 107567233
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
5-amino-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 79311374
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 79313817
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
3-benzhydryl-1-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
CID 126432631
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea (CID 116656611) is 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)N(C)CC1CCCN1C.
What is the InChIKey of 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea?
The InChIKey is PFPDUHHPBRBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)12-11(15)14(4)8-10-6-5-7-13(10)3/h9-10H,5-8H2,1-4H3,(H,12,15).
What are the key properties of 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea?
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea has a molecular weight of 213.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 116656611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).