N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine

C14H27NO — CID 115896007

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCC1=CCOCC1
InChIInChI=1S/C14H27NO/c1-12(2)4-5-13(3)15-9-6-14-7-10-16-11-8-14/h7,12-13,15H,4-6,8-11H2,1-3H3
InChIKeyRCOLORWHBVSUPI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine (PubChem CID 115896007) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine
PubChem CID115896007
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCC1=CCOCC1
InChIInChI=1S/C14H27NO/c1-12(2)4-5-13(3)15-9-6-14-7-10-16-11-8-14/h7,12-13,15H,4-6,8-11H2,1-3H3
InChIKeyRCOLORWHBVSUPI-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'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 115896002
3-[(1R)-3-(methoxymethyl)cyclohex-3-en-1-yl]-N-propan-2-ylpropan-1-amine
CID 68340934
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
3-(3,6-dihydro-2H-pyran-4-yl)azetidine
CID 166469368
3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine
CID 167303069
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclobutanamine
CID 104005710
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
4-(4-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404543
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
CID 115741754

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine (CID 115896007) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCC1=CCOCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine?
The InChIKey is RCOLORWHBVSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)4-5-13(3)15-9-6-14-7-10-16-11-8-14/h7,12-13,15H,4-6,8-11H2,1-3H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-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-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 115896007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).