N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine

C16H26BrNO — CID 65010470

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1CN(C)CC1(CBr)CCCCCC1
InChIInChI=1S/C16H26BrNO/c1-14-15(7-10-19-14)11-18(2)13-16(12-17)8-5-3-4-6-9-16/h7,10H,3-6,8-9,11-13H2,1-2H3
InChIKeyXKVWYFHQPHETLC-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.76
Rot. Bonds5

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 65010470) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID65010470
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1CN(C)CC1(CBr)CCCCCC1
InChIInChI=1S/C16H26BrNO/c1-14-15(7-10-19-14)11-18(2)13-16(12-17)8-5-3-4-6-9-16/h7,10H,3-6,8-9,11-13H2,1-2H3
InChIKeyXKVWYFHQPHETLC-UHFFFAOYSA-N
XLogP4.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 55055654
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 65009087
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392227
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65009934
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 65010470) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine is Cc1occc1CN(C)CC1(CBr)CCCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is XKVWYFHQPHETLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-14-15(7-10-19-14)11-18(2)13-16(12-17)8-5-3-4-6-9-16/h7,10H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 328.29 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 65010470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).