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

C13H23NO2 — CID 62565600

IUPACN-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
SMILESCC(C)CCOC(C)CNCc1ccco1
InChIInChI=1S/C13H23NO2/c1-11(2)6-8-15-12(3)9-14-10-13-5-4-7-16-13/h4-5,7,11-12,14H,6,8-10H2,1-3H3
InChIKeyQYURCSRRVGKMKF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.82
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine (PubChem CID 62565600) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
PubChem CID62565600
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
SMILESCC(C)CCOC(C)CNCc1ccco1
InChIInChI=1S/C13H23NO2/c1-11(2)6-8-15-12(3)9-14-10-13-5-4-7-16-13/h4-5,7,11-12,14H,6,8-10H2,1-3H3
InChIKeyQYURCSRRVGKMKF-UHFFFAOYSA-N
XLogP2.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
2-but-2-enoxy-N-(furan-2-ylmethyl)propan-1-amine
CID 76946759
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
N-(furan-2-ylmethyl)-2-(oxetan-3-yloxy)propan-1-amine
CID 102608367
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine
CID 63556735
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62564988

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine (CID 62565600) is N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine is CC(C)CCOC(C)CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine?
The InChIKey is QYURCSRRVGKMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)6-8-15-12(3)9-14-10-13-5-4-7-16-13/h4-5,7,11-12,14H,6,8-10H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine?
N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine is sourced from PubChem (CID 62565600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).