9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine

C15H26BrNO — CID 105343610

IUPAC9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
SMILESCN(CCCCCCCCCBr)Cc1ccco1
InChIInChI=1S/C15H26BrNO/c1-17(14-15-10-9-13-18-15)12-8-6-4-2-3-5-7-11-16/h9-10,13H,2-8,11-12,14H2,1H3
InChIKeyBJOJWOAKOAUCQZ-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.84
Rot. Bonds11

About 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine

9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine (PubChem CID 105343610) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
PubChem CID105343610
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
SMILESCN(CCCCCCCCCBr)Cc1ccco1
InChIInChI=1S/C15H26BrNO/c1-17(14-15-10-9-13-18-15)12-8-6-4-2-3-5-7-11-16/h9-10,13H,2-8,11-12,14H2,1H3
InChIKeyBJOJWOAKOAUCQZ-UHFFFAOYSA-N
XLogP4.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione
CID 38146081
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine?
The IUPAC name of 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine (CID 105343610) is 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine.
What is the SMILES notation for 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine?
The canonical SMILES for 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine is CN(CCCCCCCCCBr)Cc1ccco1.
What is the InChIKey of 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine?
The InChIKey is BJOJWOAKOAUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-17(14-15-10-9-13-18-15)12-8-6-4-2-3-5-7-11-16/h9-10,13H,2-8,11-12,14H2,1H3.
What are the key properties of 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine?
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine has a molecular weight of 316.28 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine is sourced from PubChem (CID 105343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).