1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine

C14H27NO — CID 104509569

IUPAC1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CCC(C)C)CCOC1C1CC1
InChIInChI=1S/C14H27NO/c1-11(2)6-7-14(10-15-3)8-9-16-13(14)12-4-5-12/h11-13,15H,4-10H2,1-3H3
InChIKeyIQIRAPGMHKPGTB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine

1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 104509569) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
PubChem CID104509569
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CCC(C)C)CCOC1C1CC1
InChIInChI=1S/C14H27NO/c1-11(2)6-7-14(10-15-3)8-9-16-13(14)12-4-5-12/h11-13,15H,4-10H2,1-3H3
InChIKeyIQIRAPGMHKPGTB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 106457296
1-(2-cyclopropyl-3-pentan-2-yloxolan-3-yl)-N-methylmethanamine
CID 107897605
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104510106
N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510154
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 104509867
N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 106930991
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol
CID 104510505
N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine (CID 104509569) is 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine is CNCC1(CCC(C)C)CCOC1C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is IQIRAPGMHKPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)6-7-14(10-15-3)8-9-16-13(14)12-4-5-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine?
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104509569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).