N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine

C12H23NO — CID 114534548

IUPACN-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1(C2CC2)CCOC1C
InChIInChI=1S/C12H23NO/c1-3-7-13-9-12(11-4-5-11)6-8-14-10(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyQTYJWKSHDFAFOL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine

N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114534548) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114534548
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1(C2CC2)CCOC1C
InChIInChI=1S/C12H23NO/c1-3-7-13-9-12(11-4-5-11)6-8-14-10(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyQTYJWKSHDFAFOL-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

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534503
N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine
CID 82717348
N-[(3-cyclopentyl-2-methyloxolan-3-yl)methyl]propan-2-amine
CID 114534707
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114933906
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558
N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
CID 82933709
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534570
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
3-(aminomethyl)-2-methyl-N-propyloxolan-3-amine
CID 82718753

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine (CID 114534548) is N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine is CCCNCC1(C2CC2)CCOC1C.
What is the InChIKey of N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is QTYJWKSHDFAFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-13-9-12(11-4-5-11)6-8-14-10(12)2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine 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-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114534548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).