ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine

C15H35N3O3 — CID 171073112

IUPACethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
SMILESCC.CC(C)(C)CC(=O)N1CCC(O)C1.CNC.NC=O
InChIInChI=1S/C10H19NO2.C2H7N.C2H6.CH3NO/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;1-2;2-1-3/h8,12H,4-7H2,1-3H3;3H,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyBHHPAUUWYHVKMI-UHFFFAOYSA-N
MW305.46 g/mol
LogP0.98
Rot. Bonds1

About ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine

ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine (PubChem CID 171073112) has the molecular formula C15H35N3O3 and a molecular weight of 305.46 g/mol. Its IUPAC name is ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine.

Molecular Properties

Compound Nameethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
PubChem CID171073112
Molecular FormulaC15H35N3O3
Molecular Weight305.46 g/mol
Exact Mass305.27
IUPAC Nameethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
SMILESCC.CC(C)(C)CC(=O)N1CCC(O)C1.CNC.NC=O
InChIInChI=1S/C10H19NO2.C2H7N.C2H6.CH3NO/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;1-2;2-1-3/h8,12H,4-7H2,1-3H3;3H,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyBHHPAUUWYHVKMI-UHFFFAOYSA-N
XLogP0.98
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
butane;ethane;1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]-N-methylmethanamine;formaldehyde;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 155719113
azane;ethane;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]formamide
CID 166459667
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanamine;N-[(1-methylindazol-5-yl)methyl]formamide
CID 170613167
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
N-[1-(4-ethynylphenyl)-2-hydroxy-2-methylpropyl]formamide;hydrazine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 170613273

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine?
The IUPAC name of ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine (CID 171073112) is ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine.
What is the SMILES notation for ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine?
The canonical SMILES for ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine is CC.CC(C)(C)CC(=O)N1CCC(O)C1.CNC.NC=O.
What is the InChIKey of ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine?
The InChIKey is BHHPAUUWYHVKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H7N.C2H6.CH3NO/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-3-2;1-2;2-1-3/h8,12H,4-7H2,1-3H3;3H,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine?
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine has a molecular weight of 305.46 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine is sourced from PubChem (CID 171073112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).