N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine

C12H21NO — CID 102647875

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(C)CC1
InChIInChI=1S/C12H21NO/c1-3-13-11(12(2)7-8-12)10-6-4-5-9-14-10/h6,11,13H,3-5,7-9H2,1-2H3
InChIKeyZVERPLAJIVPBGL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine (PubChem CID 102647875) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine
PubChem CID102647875
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(C)CC1
InChIInChI=1S/C12H21NO/c1-3-13-11(12(2)7-8-12)10-6-4-5-9-14-10/h6,11,13H,3-5,7-9H2,1-2H3
InChIKeyZVERPLAJIVPBGL-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanamine
CID 131015027
1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
CID 91173904
(3R)-6-[(cyclopropylmethylamino)methyl]-3,4-dihydro-2H-pyran-3-amine
CID 126745342
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
CID 102647186
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
CID 102647188
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylpropan-1-amine
CID 102647193
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpropan-1-amine
CID 102647194
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine
CID 102647216
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine
CID 102647217
1-(3,4-dihydro-2H-pyran-6-yl)-N-propylbutan-1-amine
CID 102647218
1-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647219

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine (CID 102647875) is N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine is CCNC(C1=CCCCO1)C1(C)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine?
The InChIKey is ZVERPLAJIVPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-13-11(12(2)7-8-12)10-6-4-5-9-14-10/h6,11,13H,3-5,7-9H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 102647875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).