N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine

C14H27NO — CID 62065960

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCC1CCC=CO1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)15-11-14-9-4-5-10-16-14/h5,10,12-15H,4,6-9,11H2,1-3H3
InChIKeyWPJNKFAVOIQJSH-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.48
Rot. Bonds7

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine (PubChem CID 62065960) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine
PubChem CID62065960
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCC1CCC=CO1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)15-11-14-9-4-5-10-16-14/h5,10,12-15H,4,6-9,11H2,1-3H3
InChIKeyWPJNKFAVOIQJSH-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine (CID 62065960) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine is CC(C)CCCC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine?
The InChIKey is WPJNKFAVOIQJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)15-11-14-9-4-5-10-16-14/h5,10,12-15H,4,6-9,11H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.48, 7 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)-6-methylheptan-2-amine is sourced from PubChem (CID 62065960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).