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

C12H23NO — CID 62065966

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-10(2)8-11(3)13-9-12-6-4-5-7-14-12/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKeyKMBQFCJVCKRXQX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine (PubChem CID 62065966) 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)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine
PubChem CID62065966
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-10(2)8-11(3)13-9-12-6-4-5-7-14-12/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKeyKMBQFCJVCKRXQX-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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-Pent-4-en-2-ylmorpholine
CID 66612517
1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
CID 143819446
(3R)-N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 145642012
N,5-dimethyl-2-propan-2-yloxyhex-1-en-3-amine
CID 147933934
4-Ethenyl-5-methoxy-2-methylpiperidine
CID 14092988
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55030349
2-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 55030404
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 55030735
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 55030742
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 55030830

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine (CID 62065966) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine is CC(C)CC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine?
The InChIKey is KMBQFCJVCKRXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-11(3)13-9-12-6-4-5-7-14-12/h5,7,10-13H,4,6,8-9H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-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)-4-methylpentan-2-amine is sourced from PubChem (CID 62065966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).