2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride

C14H26ClNO — CID 115683798

IUPAC2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
SMILESCc1ccoc1CNCC(C)(C)CC(C)C.Cl
InChIInChI=1S/C14H25NO.ClH/c1-11(2)8-14(4,5)10-15-9-13-12(3)6-7-16-13;/h6-7,11,15H,8-10H2,1-5H3;1H
InChIKeyGBVDFTRNNVWNSA-UHFFFAOYSA-N
MW259.82 g/mol
LogP4.17
Rot. Bonds6

About 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride

2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride (PubChem CID 115683798) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
PubChem CID115683798
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
SMILESCc1ccoc1CNCC(C)(C)CC(C)C.Cl
InChIInChI=1S/C14H25NO.ClH/c1-11(2)8-14(4,5)10-15-9-13-12(3)6-7-16-13;/h6-7,11,15H,8-10H2,1-5H3;1H
InChIKeyGBVDFTRNNVWNSA-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
CID 111466539
2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
CID 115751882
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
methyl 2,2-dimethyl-3-[(3-methylfuran-2-yl)methylamino]propanoate
CID 75501532
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012
5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
CID 115653275
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride?
The IUPAC name of 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride (CID 115683798) is 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride?
The canonical SMILES for 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride is Cc1ccoc1CNCC(C)(C)CC(C)C.Cl.
What is the InChIKey of 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride?
The InChIKey is GBVDFTRNNVWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO.ClH/c1-11(2)8-14(4,5)10-15-9-13-12(3)6-7-16-13;/h6-7,11,15H,8-10H2,1-5H3;1H.
What are the key properties of 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride?
2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 115683798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).