N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine

C13H23NO — CID 62998644

IUPACN-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccoc1
InChIInChI=1S/C13H23NO/c1-12(2,3)10-13(4,5)14-8-11-6-7-15-9-11/h6-7,9,14H,8,10H2,1-5H3
InChIKeyMUOUGXRPIFQPKT-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.58
Rot. Bonds4

About N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine

N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 62998644) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
PubChem CID62998644
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccoc1
InChIInChI=1S/C13H23NO/c1-12(2,3)10-13(4,5)14-8-11-6-7-15-9-11/h6-7,9,14H,8,10H2,1-5H3
InChIKeyMUOUGXRPIFQPKT-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
CID 115655869
3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine
CID 65039941
2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
CID 43434212

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine (CID 62998644) is N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is MUOUGXRPIFQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)10-13(4,5)14-8-11-6-7-15-9-11/h6-7,9,14H,8,10H2,1-5H3.
What are the key properties of N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine?
N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 209.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 62998644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).