1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one

C17H36N4O — CID 22381330

IUPAC1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one
SMILESCCCCNCC(C)(CNCCCC)CN1C(=O)NCC1C
InChIInChI=1S/C17H36N4O/c1-5-7-9-18-12-17(4,13-19-10-8-6-2)14-21-15(3)11-20-16(21)22/h15,18-19H,5-14H2,1-4H3,(H,20,22)
InChIKeyYMAXJJWRVZVDNV-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.19
Rot. Bonds12

About 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one

1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one (PubChem CID 22381330) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one
PubChem CID22381330
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one
SMILESCCCCNCC(C)(CNCCCC)CN1C(=O)NCC1C
InChIInChI=1S/C17H36N4O/c1-5-7-9-18-12-17(4,13-19-10-8-6-2)14-21-15(3)11-20-16(21)22/h15,18-19H,5-14H2,1-4H3,(H,20,22)
InChIKeyYMAXJJWRVZVDNV-UHFFFAOYSA-N
XLogP2.19
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
1-Methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1-(1-methylpyrrolidin-3-yl)urea
CID 172434454
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea hydrochloride
CID 170911671
3-Amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
CID 90488125
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea
CID 43604170
(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 95907873
3-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-1-(2,2-dimethylpropyl)-1-(2-methylpropyl)urea
CID 97082442
3-[2-[4-(Dimethylamino)piperidin-1-yl]ethyl]-1-ethyl-1-(3-pyrrolidin-1-ylpropyl)urea
CID 119045555
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(3,3-dimethylbutyl)piperazine-1-carboxamide
CID 164633487
1-[(3R)-1-[(2S)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 89492899
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 89492900

Frequently Asked Questions

What is the IUPAC name of 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one (CID 22381330) is 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one is CCCCNCC(C)(CNCCCC)CN1C(=O)NCC1C.
What is the InChIKey of 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one?
The InChIKey is YMAXJJWRVZVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O/c1-5-7-9-18-12-17(4,13-19-10-8-6-2)14-21-15(3)11-20-16(21)22/h15,18-19H,5-14H2,1-4H3,(H,20,22).
What are the key properties of 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one?
1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one has a molecular weight of 312.50 g/mol, XLogP of 2.19, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 22381330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).