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

C13H23NO — CID 102647876

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(C)CC1
InChIInChI=1S/C13H23NO/c1-3-9-14-12(13(2)7-8-13)11-6-4-5-10-15-11/h6,12,14H,3-5,7-10H2,1-2H3
InChIKeyFJXZMAXPPHCSEC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 102647876) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine
PubChem CID102647876
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(C)CC1
InChIInChI=1S/C13H23NO/c1-3-9-14-12(13(2)7-8-13)11-6-4-5-10-15-11/h6,12,14H,3-5,7-10H2,1-2H3
InChIKeyFJXZMAXPPHCSEC-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
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]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine (CID 102647876) is N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1(C)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is FJXZMAXPPHCSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-9-14-12(13(2)7-8-13)11-6-4-5-10-15-11/h6,12,14H,3-5,7-10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 5 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]propan-1-amine is sourced from PubChem (CID 102647876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).