N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

C12H21NO — CID 102647221

IUPACN-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CC1
InChIInChI=1S/C12H21NO/c1-2-8-13-12(10-6-7-10)11-5-3-4-9-14-11/h5,10,12-13H,2-4,6-9H2,1H3
InChIKeyYOFKRSPHUPCKNJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds5

About N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102647221) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102647221
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CC1
InChIInChI=1S/C12H21NO/c1-2-8-13-12(10-6-7-10)11-5-3-4-9-14-11/h5,10,12-13H,2-4,6-9H2,1H3
InChIKeyYOFKRSPHUPCKNJ-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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]propan-1-amine?
The IUPAC name of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102647221) is N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CC1.
What is the InChIKey of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is YOFKRSPHUPCKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-8-13-12(10-6-7-10)11-5-3-4-9-14-11/h5,10,12-13H,2-4,6-9H2,1H3.
What are the key properties of N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 5 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]propan-1-amine is sourced from PubChem (CID 102647221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).