N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

C14H26BrNO — CID 65002843

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCO1)CC1(CBr)CCCC1
InChIInChI=1S/C14H26BrNO/c1-2-16(10-13-6-5-9-17-13)12-14(11-15)7-3-4-8-14/h13H,2-12H2,1H3
InChIKeyRRBLYZGEUKQMPB-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.44
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 65002843) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID65002843
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCO1)CC1(CBr)CCCC1
InChIInChI=1S/C14H26BrNO/c1-2-16(10-13-6-5-9-17-13)12-14(11-15)7-3-4-8-14/h13H,2-12H2,1H3
InChIKeyRRBLYZGEUKQMPB-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (CID 65002843) is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(CC1CCCO1)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is RRBLYZGEUKQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-2-16(10-13-6-5-9-17-13)12-14(11-15)7-3-4-8-14/h13H,2-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 304.27 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 65002843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).