N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine

C14H29BrN2 — CID 65011364

IUPACN-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCCC(CBr)CN(C)C1CCN(CC)CC1
InChIInChI=1S/C14H29BrN2/c1-4-6-13(11-15)12-16(3)14-7-9-17(5-2)10-8-14/h13-14H,4-12H2,1-3H3
InChIKeyQRPFSAJJWXKWES-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine

N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 65011364) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID65011364
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC NameN-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCCC(CBr)CN(C)C1CCN(CC)CC1
InChIInChI=1S/C14H29BrN2/c1-4-6-13(11-15)12-16(3)14-7-9-17(5-2)10-8-14/h13-14H,4-12H2,1-3H3
InChIKeyQRPFSAJJWXKWES-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.21
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-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine (CID 65011364) is N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine is CCCC(CBr)CN(C)C1CCN(CC)CC1.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is QRPFSAJJWXKWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-4-6-13(11-15)12-16(3)14-7-9-17(5-2)10-8-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 305.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 65011364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).