N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine

C13H23NO — CID 79358195

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCC2CCC=CO2)C1(C)C
InChIInChI=1S/C13H23NO/c1-12(2)11(13(12,3)4)14-9-10-7-5-6-8-15-10/h6,8,10-11,14H,5,7,9H2,1-4H3
InChIKeyALKPKVNXKFHQCK-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.70
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79358195) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79358195
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCC2CCC=CO2)C1(C)C
InChIInChI=1S/C13H23NO/c1-12(2)11(13(12,3)4)14-9-10-7-5-6-8-15-10/h6,8,10-11,14H,5,7,9H2,1-4H3
InChIKeyALKPKVNXKFHQCK-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 55030404
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine
CID 62064254
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylpropan-1-amine
CID 62064594
N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine
CID 62064696
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylbutan-2-amine
CID 62064712
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine
CID 62064759
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpentan-3-amine
CID 62064762
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-2-amine
CID 62064869
1,1-dicyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
CID 62065239
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 62065291
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylbutan-2-amine
CID 62065417

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79358195) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCC2CCC=CO2)C1(C)C.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is ALKPKVNXKFHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)11(13(12,3)4)14-9-10-7-5-6-8-15-10/h6,8,10-11,14H,5,7,9H2,1-4H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.70, 3 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-2-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79358195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).