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

C15H27NO2 — CID 102648036

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(OC)CCCC1
InChIInChI=1S/C15H27NO2/c1-3-11-16-14(13-8-4-7-12-18-13)15(17-2)9-5-6-10-15/h8,14,16H,3-7,9-12H2,1-2H3
InChIKeyKRFAUNQGCNQZIV-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds6

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

N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine (PubChem CID 102648036) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
PubChem CID102648036
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1(OC)CCCC1
InChIInChI=1S/C15H27NO2/c1-3-11-16-14(13-8-4-7-12-18-13)15(17-2)9-5-6-10-15/h8,14,16H,3-7,9-12H2,1-2H3
InChIKeyKRFAUNQGCNQZIV-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653779
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653789
N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 114216076
N-ethyl-3-methyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80684164
N,3-dimethyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80685355
3-methyl-1-(2-methyloxan-2-yl)-N-propylbut-2-en-1-amine
CID 80685735
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647214
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647215
1-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647237
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647238
N-[cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647239

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine (CID 102648036) is N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1(OC)CCCC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is KRFAUNQGCNQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-11-16-14(13-8-4-7-12-18-13)15(17-2)9-5-6-10-15/h8,14,16H,3-7,9-12H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 102648036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).