N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine

C12H23NO — CID 79368548

IUPACN-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine
SMILESCCC(C)C1OCCC1CNC1CC1
InChIInChI=1S/C12H23NO/c1-3-9(2)12-10(6-7-14-12)8-13-11-4-5-11/h9-13H,3-8H2,1-2H3
InChIKeyORMHGJYUTOFSIO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine

N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine (PubChem CID 79368548) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine
PubChem CID79368548
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine
SMILESCCC(C)C1OCCC1CNC1CC1
InChIInChI=1S/C12H23NO/c1-3-9(2)12-10(6-7-14-12)8-13-11-4-5-11/h9-13H,3-8H2,1-2H3
InChIKeyORMHGJYUTOFSIO-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine
CID 79368413
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 128995387
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
N,N-dimethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 129000271
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 114201269
N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 116503548
4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde
CID 86806740
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
CID 115892654
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine (CID 79368548) is N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine is CCC(C)C1OCCC1CNC1CC1.
What is the InChIKey of N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine?
The InChIKey is ORMHGJYUTOFSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9(2)12-10(6-7-14-12)8-13-11-4-5-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine?
N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79368548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).