3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea

C10H23N3O — CID 106116295

IUPAC3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
SMILESCCCC(CCN)CNC(=O)N(C)C
InChIInChI=1S/C10H23N3O/c1-4-5-9(6-7-11)8-12-10(14)13(2)3/h9H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyMQBVFLHLTXPDDH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea

3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea (PubChem CID 106116295) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
PubChem CID106116295
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
SMILESCCCC(CCN)CNC(=O)N(C)C
InChIInChI=1S/C10H23N3O/c1-4-5-9(6-7-11)8-12-10(14)13(2)3/h9H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyMQBVFLHLTXPDDH-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
N-[2-(2-aminoethyl)pentyl]-2,2-dimethylpropanamide
CID 106116137
3-(2-ethylbutyl)-1,1-dimethylurea
CID 84513331
N-[2-(2-aminoethyl)pentyl]cyclopentanecarboxamide
CID 106116208
N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide
CID 106116291
N-[2-(2-aminoethyl)pentyl]piperidine-1-carboxamide
CID 106116294
N-[2-(2-aminoethyl)pentyl]-2-cyclopentylacetamide
CID 106116170
phenyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116281
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
3-(4-aminobutan-2-yl)-1,1-dimethylurea
CID 79154286
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea (CID 106116295) is 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea is CCCC(CCN)CNC(=O)N(C)C.
What is the InChIKey of 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea?
The InChIKey is MQBVFLHLTXPDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-5-9(6-7-11)8-12-10(14)13(2)3/h9H,4-8,11H2,1-3H3,(H,12,14).
What are the key properties of 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea?
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea has a molecular weight of 201.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea is sourced from PubChem (CID 106116295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).