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

C11H19NO — CID 102647220

IUPACN-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CC1
InChIInChI=1S/C11H19NO/c1-2-12-11(9-6-7-9)10-5-3-4-8-13-10/h5,9,11-12H,2-4,6-8H2,1H3
InChIKeyHEFRWZABIXHOID-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds4

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

N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (PubChem CID 102647220) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
PubChem CID102647220
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CC1
InChIInChI=1S/C11H19NO/c1-2-12-11(9-6-7-9)10-5-3-4-8-13-10/h5,9,11-12H,2-4,6-8H2,1H3
InChIKeyHEFRWZABIXHOID-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312383
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91112845
1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
CID 91173904
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575
(3R)-6-[(cyclopropylmethylamino)methyl]-3,4-dihydro-2H-pyran-3-amine
CID 126745342
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
CID 126745797
N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane
CID 143810615

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (CID 102647220) is N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CC1.
What is the InChIKey of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The InChIKey is HEFRWZABIXHOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-12-11(9-6-7-9)10-5-3-4-8-13-10/h5,9,11-12H,2-4,6-8H2,1H3.
What are the key properties of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is sourced from PubChem (CID 102647220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).