N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine

C9H17NO — CID 102651564

IUPACN-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CCCO1
InChIInChI=1S/C9H17NO/c1-8(2)6-10-7-9-4-3-5-11-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyNQDBPKYIOOVSSR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.54
Rot. Bonds4

About N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine

N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine (PubChem CID 102651564) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine
PubChem CID102651564
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CCCO1
InChIInChI=1S/C9H17NO/c1-8(2)6-10-7-9-4-3-5-11-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyNQDBPKYIOOVSSR-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine (CID 102651564) is N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCC1=CCCO1.
What is the InChIKey of N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is NQDBPKYIOOVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-10-7-9-4-3-5-11-9/h4,8,10H,3,5-7H2,1-2H3.
What are the key properties of N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine?
N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuran-5-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 102651564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).