N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine

C11H19NO2 — CID 3155080

IUPACN-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccco1
InChIInChI=1S/C11H19NO2/c1-10(2)13-8-4-6-12-9-11-5-3-7-14-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3
InChIKeyYRXHRCBJTHWIGL-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.18
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine

N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 3155080) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID3155080
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccco1
InChIInChI=1S/C11H19NO2/c1-10(2)13-8-4-6-12-9-11-5-3-7-14-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3
InChIKeyYRXHRCBJTHWIGL-UHFFFAOYSA-N
XLogP2.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111246575
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine (CID 3155080) is N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is YRXHRCBJTHWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)13-8-4-6-12-9-11-5-3-7-14-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 3155080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).