N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine

C14H27NO — CID 115741730

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)15-10-14-8-5-9-16-11-14/h8,12-13,15H,4-7,9-11H2,1-3H3
InChIKeyXYWBWXGHWDOSHS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds7

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine (PubChem CID 115741730) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
PubChem CID115741730
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)15-10-14-8-5-9-16-11-14/h8,12-13,15H,4-7,9-11H2,1-3H3
InChIKeyXYWBWXGHWDOSHS-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 104588469
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylheptan-2-amine
CID 114411035
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 115674379
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 115741729
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
CID 115741738
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-3-amine
CID 115741739

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine (CID 115741730) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine is CC(C)CCCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine?
The InChIKey is XYWBWXGHWDOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)15-10-14-8-5-9-16-11-14/h8,12-13,15H,4-7,9-11H2,1-3H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine is sourced from PubChem (CID 115741730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).