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

C12H22N2O — CID 91173904

IUPAC1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
SMILESCNCC1CC=C(CNCC2CC2)OC1
InChIInChI=1S/C12H22N2O/c1-13-6-11-4-5-12(15-9-11)8-14-7-10-2-3-10/h5,10-11,13-14H,2-4,6-9H2,1H3
InChIKeyYESDYQIIIKYIRJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.13
Rot. Bonds6

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

1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine (PubChem CID 91173904) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
PubChem CID91173904
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
SMILESCNCC1CC=C(CNCC2CC2)OC1
InChIInChI=1S/C12H22N2O/c1-13-6-11-4-5-12(15-9-11)8-14-7-10-2-3-10/h5,10-11,13-14H,2-4,6-9H2,1H3
InChIKeyYESDYQIIIKYIRJ-UHFFFAOYSA-N
XLogP1.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575
(3R)-6-[(cyclopropylmethylamino)methyl]-3,4-dihydro-2H-pyran-3-amine
CID 126745342
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
CID 126745797
(Z)-N-[(2-ethoxycyclohexa-2,4-dien-1-yl)methyl]but-2-en-1-amine
CID 134268221
N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane
CID 143810615
N'-(3,4-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine
CID 144092105
2-(cyclopropylmethylidene)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339845
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,2-dimethylpropan-1-amine
CID 102647192

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine (CID 91173904) is 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine is CNCC1CC=C(CNCC2CC2)OC1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine?
The InChIKey is YESDYQIIIKYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-6-11-4-5-12(15-9-11)8-14-7-10-2-3-10/h5,10-11,13-14H,2-4,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine is sourced from PubChem (CID 91173904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).