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

C13H23NO — CID 102647504

IUPACN-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC1
InChIInChI=1S/C13H23NO/c1-2-9-14-13(11-6-5-7-11)12-8-3-4-10-15-12/h8,11,13-14H,2-7,9-10H2,1H3
InChIKeyKCARXAWOYXJNNG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds5

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

N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102647504) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102647504
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC1
InChIInChI=1S/C13H23NO/c1-2-9-14-13(11-6-5-7-11)12-8-3-4-10-15-12/h8,11,13-14H,2-7,9-10H2,1H3
InChIKeyKCARXAWOYXJNNG-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

1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 130920826
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-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
(4aR,5R)-5-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 146948792
(3R)-3-[(3R)-2-[(E)-1-cyclopropyloxyprop-1-enyl]azetidin-3-yl]-N-methylbutan-1-amine
CID 173974673
N-(cyclohex-3-en-1-ylmethyl)-1-methoxypentan-2-amine
CID 64411079
2-(3,4-dihydro-2H-pyran-6-yl)piperidine
CID 84021461
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

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102647504) is N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCC1.
What is the InChIKey of N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is KCARXAWOYXJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-9-14-13(11-6-5-7-11)12-8-3-4-10-15-12/h8,11,13-14H,2-7,9-10H2,1H3.
What are the key properties of N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)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-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).