N-(furan-2-ylmethyl)-2-methylbutan-1-amine

C10H17NO — CID 43200420

IUPACN-(furan-2-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccco1
InChIInChI=1S/C10H17NO/c1-3-9(2)7-11-8-10-5-4-6-12-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyHXJPXIFVFIFERZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.42
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-methylbutan-1-amine

N-(furan-2-ylmethyl)-2-methylbutan-1-amine (PubChem CID 43200420) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methylbutan-1-amine
PubChem CID43200420
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(furan-2-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccco1
InChIInChI=1S/C10H17NO/c1-3-9(2)7-11-8-10-5-4-6-12-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyHXJPXIFVFIFERZ-UHFFFAOYSA-N
XLogP2.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
N-ethyl-3-(furan-2-yl)-2-methylpropan-1-amine
CID 63000489
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methylbutan-1-amine (CID 43200420) is N-(furan-2-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methylbutan-1-amine is CCC(C)CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is HXJPXIFVFIFERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(2)7-11-8-10-5-4-6-12-10/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methylbutan-1-amine?
N-(furan-2-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 43200420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).