2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine

C14H25NO — CID 43434212

IUPAC2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
SMILESCc1ccc(CNC(C)(C)CC(C)(C)C)o1
InChIInChI=1S/C14H25NO/c1-11-7-8-12(16-11)9-15-14(5,6)10-13(2,3)4/h7-8,15H,9-10H2,1-6H3
InChIKeyIQQUIRGAAOBSLB-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.89
Rot. Bonds4

About 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine

2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine (PubChem CID 43434212) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
PubChem CID43434212
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
SMILESCc1ccc(CNC(C)(C)CC(C)(C)C)o1
InChIInChI=1S/C14H25NO/c1-11-7-8-12(16-11)9-15-14(5,6)10-13(2,3)4/h7-8,15H,9-10H2,1-6H3
InChIKeyIQQUIRGAAOBSLB-UHFFFAOYSA-N
XLogP3.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine
CID 82344532
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
CID 115002340
ethyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331166
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62998644
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
2-[(5-aminofuran-2-yl)methylamino]-2-methylpropan-1-ol
CID 82344574
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
CID 79100351
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine (CID 43434212) is 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine is Cc1ccc(CNC(C)(C)CC(C)(C)C)o1.
What is the InChIKey of 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine?
The InChIKey is IQQUIRGAAOBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-7-8-12(16-11)9-15-14(5,6)10-13(2,3)4/h7-8,15H,9-10H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine?
2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 43434212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).