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

C12H23NO — CID 62064759

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-4-10(2)11(3)13-9-12-7-5-6-8-14-12/h6,8,10-13H,4-5,7,9H2,1-3H3
InChIKeyUWMKGUGLCRLCQO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine (PubChem CID 62064759) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine
PubChem CID62064759
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-4-10(2)11(3)13-9-12-7-5-6-8-14-12/h6,8,10-13H,4-5,7,9H2,1-3H3
InChIKeyUWMKGUGLCRLCQO-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14092988
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CID 55030349
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CID 55030404
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CID 55030742
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CID 55030830
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CID 62064194
CID 62064194

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine (CID 62064759) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine is CCC(C)C(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine?
The InChIKey is UWMKGUGLCRLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)11(3)13-9-12-7-5-6-8-14-12/h6,8,10-13H,4-5,7,9H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpentan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 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-2-ylmethyl)-3-methylpentan-2-amine is sourced from PubChem (CID 62064759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).